 Entering Gaussian System, Link 0=g16
 Input=20_transdimethyltiirane_STD_wB97XD-augccpVDZr.in
 Output=20_transdimethyltiirane_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/20_transdimethyltiirane_STD/Gau-38822.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/20_transdimethyltiirane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     38827.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=20_transdimethyltiirane_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 22:11:44 2021, MaxMem= 10737418240 cpu:               2.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "20_transdimethyltiirane_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.599491000000     -0.369878000000      0.431357000000
  C                                                -0.599488000000     -0.369888000000     -0.431357000000
  S                                                -0.000005000000      1.310943000000     -0.000002000000
  C                                                 1.938838000000     -0.811623000000     -0.094154000000
  C                                                -1.938831000000     -0.811630000000      0.094156000000
  H                                                 0.415368000000     -0.613481000000      1.473325000000
  H                                                -0.415358000000     -0.613502000000     -1.473321000000
  H                                                 2.751939000000     -0.367214000000      0.481119000000
  H                                                 2.030524000000     -1.899878000000     -0.024340000000
  H                                                 2.060606000000     -0.517889000000     -1.136950000000
  H                                                -2.751938000000     -0.367061000000     -0.480988000000
  H                                                -2.030600000000     -1.899865000000      0.024153000000
  H                                                -2.060517000000     -0.518072000000      1.137011000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     13 NQM=       13 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          32          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  31.9720718  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000  13.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000  16.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul  8 22:11:44 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.599491   -0.369878    0.431357
      2          6           0       -0.599488   -0.369888   -0.431357
      3         16           0       -0.000005    1.310943   -0.000002
      4          6           0        1.938838   -0.811623   -0.094154
      5          6           0       -1.938831   -0.811630    0.094156
      6          1           0        0.415368   -0.613481    1.473325
      7          1           0       -0.415358   -0.613502   -1.473321
      8          1           0        2.751939   -0.367214    0.481119
      9          1           0        2.030524   -1.899878   -0.024340
     10          1           0        2.060606   -0.517889   -1.136950
     11          1           0       -2.751938   -0.367061   -0.480988
     12          1           0       -2.030600   -1.899865    0.024153
     13          1           0       -2.060517   -0.518072    1.137011
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.477101   0.000000
     3  S    1.835926   1.835930   0.000000
     4  C    1.505042   2.598448   2.876328   0.000000
     5  C    2.598447   1.505038   2.876322   3.882239   0.000000
     6  H    1.085791   2.171885   2.458991   2.194815   2.735621
     7  H    2.171882   1.085790   2.458999   2.735616   2.194814
     8  H    2.153025   3.473425   3.258970   1.090675   4.727639
     9  H    2.143925   3.069771   3.799080   1.094340   4.117536
    10  H    2.148570   2.756060   2.980502   1.090198   4.194926
    11  H    3.473393   2.153024   3.258862   4.727648   1.090676
    12  H    3.069862   2.143922   3.799104   4.117609   1.094339
    13  H    2.756003   2.148568   2.980571   4.194852   1.090197
                    6          7          8          9         10
     6  H    0.000000
     7  H    3.061508   0.000000
     8  H    2.550428   3.729915   0.000000
     9  H    2.550793   3.120360   1.767763   0.000000
    10  H    3.086986   2.500537   1.766010   1.774458   0.000000
    11  H    3.729865   2.550503   5.587335   5.042816   4.859384
    12  H    3.120520   2.550719   5.042868   4.061414   4.471687
    13  H    2.500443   3.086987   4.859289   4.471548   4.706862
                   11         12         13
    11  H    0.000000
    12  H    1.767762   0.000000
    13  H    1.766009   1.774458   0.000000
 Stoichiometry    C4H8S
 Framework group  C1[X(C4H8S)]
 Deg. of freedom    33
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.93D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.599491   -0.369878    0.431357
      2          6           0       -0.599488   -0.369888   -0.431357
      3         16           0       -0.000005    1.310943   -0.000002
      4          6           0        1.938838   -0.811623   -0.094154
      5          6           0       -1.938831   -0.811630    0.094156
      6          1           0        0.415368   -0.613481    1.473325
      7          1           0       -0.415358   -0.613502   -1.473321
      8          1           0        2.751939   -0.367214    0.481119
      9          1           0        2.030524   -1.899878   -0.024340
     10          1           0        2.060606   -0.517889   -1.136950
     11          1           0       -2.751938   -0.367061   -0.480988
     12          1           0       -2.030600   -1.899865    0.024153
     13          1           0       -2.060517   -0.518072    1.137011
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           5.3481899           3.5229824           2.3648219
 Leave Link  202 at Thu Jul  8 22:11:45 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     11     12     13
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      4      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  2.4763500000D-04
     Exponent=  1.6610000000D+04 Coefficients=  1.9202600000D-03
     Exponent=  3.7810000000D+03 Coefficients=  9.9619200000D-03
     Exponent=  1.0710000000D+03 Coefficients=  4.0297500000D-02
     Exponent=  3.4980000000D+02 Coefficients=  1.2860400000D-01
     Exponent=  1.2630000000D+02 Coefficients=  3.0348000000D-01
     Exponent=  4.9260000000D+01 Coefficients=  4.2143200000D-01
     Exponent=  2.0160000000D+01 Coefficients=  2.3078100000D-01
     Exponent=  5.7200000000D+00 Coefficients=  1.7897100000D-02
     Exponent=  2.1820000000D+00 Coefficients= -2.9751600000D-03
     Exponent=  4.3270000000D-01 Coefficients=  8.4952200000D-04
     Exponent=  1.5700000000D-01 Coefficients= -3.6793600000D-04
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients= -6.8703900000D-05
     Exponent=  1.6610000000D+04 Coefficients= -5.2768100000D-04
     Exponent=  3.7810000000D+03 Coefficients= -2.7967100000D-03
     Exponent=  1.0710000000D+03 Coefficients= -1.1265100000D-02
     Exponent=  3.4980000000D+02 Coefficients= -3.8883400000D-02
     Exponent=  1.2630000000D+02 Coefficients= -9.9502500000D-02
     Exponent=  4.9260000000D+01 Coefficients= -1.9974000000D-01
     Exponent=  2.0160000000D+01 Coefficients= -1.2336000000D-01
     Exponent=  5.7200000000D+00 Coefficients=  5.1319400000D-01
     Exponent=  2.1820000000D+00 Coefficients=  6.0712000000D-01
     Exponent=  4.3270000000D-01 Coefficients=  3.9675300000D-02
     Exponent=  1.5700000000D-01 Coefficients= -9.4686400000D-03
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  1.9907700000D-05
     Exponent=  1.6610000000D+04 Coefficients=  1.5348300000D-04
     Exponent=  3.7810000000D+03 Coefficients=  8.0950300000D-04
     Exponent=  1.0710000000D+03 Coefficients=  3.2897400000D-03
     Exponent=  3.4980000000D+02 Coefficients=  1.1296700000D-02
     Exponent=  1.2630000000D+02 Coefficients=  2.9638500000D-02
     Exponent=  4.9260000000D+01 Coefficients=  5.9985100000D-02
     Exponent=  2.0160000000D+01 Coefficients=  4.1324800000D-02
     Exponent=  5.7200000000D+00 Coefficients= -2.0747400000D-01
     Exponent=  2.1820000000D+00 Coefficients= -3.9288900000D-01
     Exponent=  4.3270000000D-01 Coefficients=  6.3284000000D-01
     Exponent=  1.5700000000D-01 Coefficients=  5.5692400000D-01
 S 1 1.00
     Exponent=  1.5700000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.0700000000D-02 Coefficients=  1.0000000000D+00
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients=  4.4754100000D-03
     Exponent=  9.4190000000D+01 Coefficients=  3.4170800000D-02
     Exponent=  2.9750000000D+01 Coefficients=  1.4425000000D-01
     Exponent=  1.0770000000D+01 Coefficients=  3.5392800000D-01
     Exponent=  4.1190000000D+00 Coefficients=  4.5908500000D-01
     Exponent=  1.6250000000D+00 Coefficients=  2.0638300000D-01
     Exponent=  4.7260000000D-01 Coefficients=  1.0214100000D-02
     Exponent=  1.4070000000D-01 Coefficients= -6.0312200000D-05
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients= -1.1625100000D-03
     Exponent=  9.4190000000D+01 Coefficients= -8.6566400000D-03
     Exponent=  2.9750000000D+01 Coefficients= -3.9088600000D-02
     Exponent=  1.0770000000D+01 Coefficients= -9.3462500000D-02
     Exponent=  4.1190000000D+00 Coefficients= -1.4799400000D-01
     Exponent=  1.6250000000D+00 Coefficients=  3.0190400000D-02
     Exponent=  4.7260000000D-01 Coefficients=  5.6157300000D-01
     Exponent=  1.4070000000D-01 Coefficients=  5.3477600000D-01
 P 1 1.00
     Exponent=  1.4070000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.9900000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.7900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 234 were deleted.
 There are   201 symmetry adapted cartesian basis functions of A   symmetry.
 There are   191 symmetry adapted basis functions of A   symmetry.
   191 basis functions,   365 primitive gaussians,   201 cartesian basis functions
    24 alpha electrons       24 beta electrons
       nuclear repulsion energy       226.7594630262 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   13 NActive=   13 NUniq=   13 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0053893790 Hartrees.
 Nuclear repulsion after empirical dispersion term =      226.7540736472 Hartrees.
 Leave Link  301 at Thu Jul  8 22:11:47 2021, MaxMem= 10737418240 cpu:              34.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   191 RedAO= T EigKep=  3.75D-05  NBF=   191
 NBsUse=   191 1.00D-06 EigRej= -1.00D+00 NBFU=   191
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   201   201   201   201   201 MxSgAt=    13 MxSgA2=    13.
 Leave Link  302 at Thu Jul  8 22:11:48 2021, MaxMem= 10737418240 cpu:               4.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 22:11:48 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "20_transdimethyltiirane_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 22:11:49 2021, MaxMem= 10737418240 cpu:               4.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737332163 LenY= 10737291321
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -555.386341533441    
 DIIS: error= 6.21D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -555.386341533441     IErMin= 1 ErrMin= 6.21D-03
 ErrMax= 6.21D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.20D-03 BMatP= 4.20D-03
 IDIUse=3 WtCom= 9.38D-01 WtEn= 6.21D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.385 Goal=   None    Shift=    0.000
 GapD=    0.385 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.55D-03 MaxDP=1.58D-01              OVMax= 1.45D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.46D-03    CP:  1.04D+00
 E= -555.389055352430     Delta-E=       -0.002713818989 Rises=F Damp=F
 DIIS: error= 3.30D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -555.389055352430     IErMin= 2 ErrMin= 3.30D-04
 ErrMax= 3.30D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.97D-05 BMatP= 4.20D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.30D-03
 Coeff-Com: -0.266D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.266D-01 0.103D+01
 Gap=     0.340 Goal=   None    Shift=    0.000
 RMSDP=9.86D-04 MaxDP=3.51D-02 DE=-2.71D-03 OVMax= 5.20D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.45D-04    CP:  1.04D+00  1.13D+00
 E= -555.389141174744     Delta-E=       -0.000085822315 Rises=F Damp=F
 DIIS: error= 2.79D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -555.389141174744     IErMin= 3 ErrMin= 2.79D-04
 ErrMax= 2.79D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.57D-05 BMatP= 5.97D-05
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.79D-03
 Coeff-Com: -0.220D-01 0.383D+00 0.639D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.220D-01 0.382D+00 0.640D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=1.05D-04 MaxDP=3.33D-03 DE=-8.58D-05 OVMax= 2.59D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.67D-05    CP:  1.04D+00  1.14D+00  1.08D+00
 E= -555.389168393397     Delta-E=       -0.000027218653 Rises=F Damp=F
 DIIS: error= 1.36D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -555.389168393397     IErMin= 4 ErrMin= 1.36D-04
 ErrMax= 1.36D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.78D-06 BMatP= 2.57D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.36D-03
 Coeff-Com: -0.206D-02-0.602D-01 0.243D+00 0.820D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.206D-02-0.601D-01 0.242D+00 0.820D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=5.65D-05 MaxDP=1.65D-03 DE=-2.72D-05 OVMax= 9.00D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.51D-05    CP:  1.04D+00  1.15D+00  1.15D+00  1.00D+00
 E= -555.389173463813     Delta-E=       -0.000005070416 Rises=F Damp=F
 DIIS: error= 1.65D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -555.389173463813     IErMin= 5 ErrMin= 1.65D-05
 ErrMax= 1.65D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-07 BMatP= 3.78D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.978D-03-0.410D-01 0.150D-01 0.174D+00 0.851D+00
 Coeff:      0.978D-03-0.410D-01 0.150D-01 0.174D+00 0.851D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=9.07D-06 MaxDP=2.13D-04 DE=-5.07D-06 OVMax= 3.15D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.59D-06    CP:  1.04D+00  1.15D+00  1.16D+00  1.03D+00  1.18D+00
 E= -555.389173688748     Delta-E=       -0.000000224934 Rises=F Damp=F
 DIIS: error= 5.29D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -555.389173688748     IErMin= 6 ErrMin= 5.29D-06
 ErrMax= 5.29D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-08 BMatP= 1.11D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.312D-03 0.359D-03-0.184D-01-0.460D-01 0.159D+00 0.904D+00
 Coeff:      0.312D-03 0.359D-03-0.184D-01-0.460D-01 0.159D+00 0.904D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=5.25D-06 MaxDP=2.05D-04 DE=-2.25D-07 OVMax= 1.08D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.95D-06    CP:  1.04D+00  1.15D+00  1.15D+00  1.04D+00  1.26D+00
                    CP:  1.13D+00
 E= -555.389173712986     Delta-E=       -0.000000024238 Rises=F Damp=F
 DIIS: error= 1.64D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -555.389173712986     IErMin= 7 ErrMin= 1.64D-06
 ErrMax= 1.64D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.80D-10 BMatP= 1.03D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.475D-04 0.432D-02-0.581D-02-0.284D-01-0.554D-01 0.168D+00
 Coeff-Com:  0.918D+00
 Coeff:     -0.475D-04 0.432D-02-0.581D-02-0.284D-01-0.554D-01 0.168D+00
 Coeff:      0.918D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=1.84D-06 MaxDP=6.64D-05 DE=-2.42D-08 OVMax= 4.04D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.82D-07    CP:  1.04D+00  1.15D+00  1.15D+00  1.04D+00  1.29D+00
                    CP:  1.20D+00  1.20D+00
 E= -555.389173715432     Delta-E=       -0.000000002446 Rises=F Damp=F
 DIIS: error= 4.45D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -555.389173715432     IErMin= 8 ErrMin= 4.45D-07
 ErrMax= 4.45D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.49D-11 BMatP= 8.80D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.150D-04 0.187D-03 0.778D-03 0.495D-03-0.124D-01-0.410D-01
 Coeff-Com:  0.120D+00 0.932D+00
 Coeff:     -0.150D-04 0.187D-03 0.778D-03 0.495D-03-0.124D-01-0.410D-01
 Coeff:      0.120D+00 0.932D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=2.83D-07 MaxDP=8.05D-06 DE=-2.45D-09 OVMax= 1.02D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.64D-07    CP:  1.04D+00  1.15D+00  1.15D+00  1.04D+00  1.29D+00
                    CP:  1.20D+00  1.28D+00  1.23D+00
 E= -555.389173715565     Delta-E=       -0.000000000134 Rises=F Damp=F
 DIIS: error= 1.77D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -555.389173715565     IErMin= 9 ErrMin= 1.77D-07
 ErrMax= 1.77D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.56D-12 BMatP= 5.49D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.338D-05-0.270D-03 0.779D-03 0.253D-02-0.142D-04-0.310D-01
 Coeff-Com: -0.460D-01 0.280D+00 0.794D+00
 Coeff:     -0.338D-05-0.270D-03 0.779D-03 0.253D-02-0.142D-04-0.310D-01
 Coeff:     -0.460D-01 0.280D+00 0.794D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=8.60D-08 MaxDP=2.31D-06 DE=-1.34D-10 OVMax= 3.14D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.81D-08    CP:  1.04D+00  1.15D+00  1.15D+00  1.04D+00  1.29D+00
                    CP:  1.21D+00  1.30D+00  1.32D+00  1.12D+00
 E= -555.389173715587     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 6.87D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -555.389173715587     IErMin=10 ErrMin= 6.87D-08
 ErrMax= 6.87D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.12D-13 BMatP= 8.56D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.162D-05-0.270D-04-0.687D-04 0.426D-04 0.143D-02 0.351D-02
 Coeff-Com: -0.122D-01-0.829D-01-0.113D-01 0.110D+01
 Coeff:      0.162D-05-0.270D-04-0.687D-04 0.426D-04 0.143D-02 0.351D-02
 Coeff:     -0.122D-01-0.829D-01-0.113D-01 0.110D+01
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=4.23D-08 MaxDP=1.18D-06 DE=-2.14D-11 OVMax= 1.52D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.31D-08    CP:  1.04D+00  1.15D+00  1.15D+00  1.04D+00  1.29D+00
                    CP:  1.20D+00  1.30D+00  1.34D+00  1.26D+00  1.29D+00
 E= -555.389173715591     Delta-E=       -0.000000000004 Rises=F Damp=F
 DIIS: error= 2.23D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -555.389173715591     IErMin=11 ErrMin= 2.23D-08
 ErrMax= 2.23D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.83D-14 BMatP= 4.12D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.235D-06 0.227D-04-0.595D-04-0.211D-03-0.994D-04 0.254D-02
 Coeff-Com:  0.444D-02-0.202D-01-0.587D-01-0.513D-01 0.112D+01
 Coeff:      0.235D-06 0.227D-04-0.595D-04-0.211D-03-0.994D-04 0.254D-02
 Coeff:      0.444D-02-0.202D-01-0.587D-01-0.513D-01 0.112D+01
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=1.13D-08 MaxDP=2.82D-07 DE=-4.21D-12 OVMax= 5.70D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.05D-09    CP:  1.04D+00  1.15D+00  1.15D+00  1.04D+00  1.29D+00
                    CP:  1.20D+00  1.30D+00  1.34D+00  1.28D+00  1.37D+00
                    CP:  1.37D+00
 E= -555.389173715593     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 8.41D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -555.389173715593     IErMin=12 ErrMin= 8.41D-09
 ErrMax= 8.41D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.03D-15 BMatP= 3.83D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.229D-06 0.235D-05 0.132D-04 0.294D-05-0.175D-03-0.515D-03
 Coeff-Com:  0.998D-03 0.940D-02 0.851D-02-0.116D+00-0.108D+00 0.120D+01
 Coeff:     -0.229D-06 0.235D-05 0.132D-04 0.294D-05-0.175D-03-0.515D-03
 Coeff:      0.998D-03 0.940D-02 0.851D-02-0.116D+00-0.108D+00 0.120D+01
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=4.33D-09 MaxDP=1.67D-07 DE=-1.59D-12 OVMax= 2.27D-07

 SCF Done:  E(RwB97XD) =  -555.389173716     A.U. after   12 cycles
            NFock= 12  Conv=0.43D-08     -V/T= 2.0037
 KE= 5.533666441452D+02 PE=-1.763651008900D+03 EE= 4.281411173922D+02
 Leave Link  502 at Thu Jul  8 22:12:27 2021, MaxMem= 10737418240 cpu:             597.0 elap:              37.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   191
 NBasis=   191 NAE=    24 NBE=    24 NFC=     0 NFV=     0
 NROrb=    191 NOA=    24 NOB=    24 NVA=   167 NVB=   167

 **** Warning!!: The largest alpha MO coefficient is  0.41229434D+02

 Leave Link  801 at Thu Jul  8 22:12:27 2021, MaxMem= 10737418240 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4015 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          13
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 6.68D-14 8.33D-09 XBig12= 1.00D+00 3.09D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 6.68D-14 8.33D-09 XBig12= 2.21D-01 9.29D-02.
     11 vectors produced by pass  2 Test12= 6.68D-14 8.33D-09 XBig12= 2.77D-02 2.84D-02.
     11 vectors produced by pass  3 Test12= 6.68D-14 8.33D-09 XBig12= 1.83D-03 9.97D-03.
     11 vectors produced by pass  4 Test12= 6.68D-14 8.33D-09 XBig12= 7.76D-05 2.14D-03.
     11 vectors produced by pass  5 Test12= 6.68D-14 8.33D-09 XBig12= 3.14D-06 3.66D-04.
     11 vectors produced by pass  6 Test12= 6.68D-14 8.33D-09 XBig12= 9.82D-08 7.86D-05.
     11 vectors produced by pass  7 Test12= 6.68D-14 8.33D-09 XBig12= 1.54D-09 6.08D-06.
     11 vectors produced by pass  8 Test12= 6.68D-14 8.33D-09 XBig12= 2.06D-11 7.60D-07.
      6 vectors produced by pass  9 Test12= 6.68D-14 8.33D-09 XBig12= 2.08D-13 6.05D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   105 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.776741D+02
      2 -0.129103D-04  0.795790D+02
      3  0.157588D+00  0.126070D-03  0.610487D+02
 Isotropic polarizability for W=    0.093368       72.77 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.294791D-03 -0.337288D+02  0.152712D-03
      2  -0.779587D-03  0.217769D+02 -0.213580D-02
      3   0.107438D-02  0.119519D+02  0.198309D-02
      4  -0.392494D+02 -0.116854D-02 -0.750870D+01
      5   0.279407D-03 -0.462462D+01  0.113423D-02
      6  -0.496382D+01 -0.255638D-02 -0.758379D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.269193D+01  0.313747D-03 -0.985685D+00
      2   0.602368D-04  0.318360D+01 -0.598997D-04
      3   0.346221D+01 -0.236798D-03 -0.159391D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.288408D+01 -0.420580D-03  0.195357D+02
      2  -0.126694D-03 -0.254488D+01  0.598475D-04
      3  -0.552064D+01  0.388952D-03 -0.339200D+00
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.151586D+01 -0.161905D-03  0.113275D+01
      2  -0.161905D-03 -0.277914D+01  0.130274D-03
      3   0.113275D+01  0.130274D-03  0.161037D+00
 OR G Eigenvalues:    -2.7791    -0.4814     2.1583  Iso=     0.3674
 Eigenvectors:
   (1)   0.000055   1.000000  -0.000065
   (2)  -0.493330   0.000084   0.869842
   (3)   0.869842  -0.000016   0.493330
 w=    0.093368 a.u., Optical Rotation Beta=      0.3674 au.
 Molar Mass =     88.1672 grams/mole, [Alpha] ( 4880.0 A) =      234.89 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   18336 ScalPx= 3.63D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   18336 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.37D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.11D-14 2.78D-09 XBig12= 1.00D+00 5.27D-01.
     30 vectors produced by pass  1 Test12= 1.11D-14 2.78D-09 XBig12= 3.57D-02 4.15D-02.
     30 vectors produced by pass  2 Test12= 1.11D-14 2.78D-09 XBig12= 4.80D-04 4.21D-03.
     30 vectors produced by pass  3 Test12= 1.11D-14 2.78D-09 XBig12= 4.72D-06 3.49D-04.
     30 vectors produced by pass  4 Test12= 1.11D-14 2.78D-09 XBig12= 4.51D-08 3.81D-05.
     30 vectors produced by pass  5 Test12= 1.11D-14 2.78D-09 XBig12= 2.71D-10 2.72D-06.
     30 vectors produced by pass  6 Test12= 1.11D-14 2.78D-09 XBig12= 1.36D-12 1.70D-07.
     25 vectors produced by pass  7 Test12= 1.11D-14 2.78D-09 XBig12= 7.08D-15 1.55D-08.
      1 vectors produced by pass  8 Test12= 1.11D-14 2.78D-09 XBig12= 4.61D-16 4.12D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   236 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   18336 ScalPx= 1.43D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   18336 ScalPx= 1.43D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   18336 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.89D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.776741D+02 -0.129103D-04  0.157588D+00
      2  -0.129103D-04  0.795790D+02  0.126070D-03
      3   0.157588D+00  0.126070D-03  0.610487D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.269193D+01  0.313747D-03 -0.985685D+00
      2   0.602368D-04  0.318360D+01 -0.598997D-04
      3   0.346221D+01 -0.236798D-03 -0.159391D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.294791D-03 -0.337288D+02  0.152712D-03
      2  -0.779587D-03  0.217769D+02 -0.213580D-02
      3   0.107438D-02  0.119519D+02  0.198309D-02
      4  -0.392494D+02 -0.116854D-02 -0.750870D+01
      5   0.279407D-03 -0.462462D+01  0.113423D-02
      6  -0.496382D+01 -0.255638D-02 -0.758379D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.404441D+01 -0.159172D+01  0.225455D+01 -0.265576D+01  0.710366D+01
      2  -0.159172D+01  0.218402D+01 -0.113379D+01  0.710366D+01 -0.917953D+01
      3   0.225455D+01 -0.113379D+01  0.235100D+01 -0.281339D+00  0.138393D+01
                 6             7             8             9            10 
      1  -0.281339D+00  0.458923D+01 -0.103035D+01  0.157758D+01 -0.404470D+01
      2   0.138393D+01 -0.103035D+01 -0.294565D+00  0.228672D+01 -0.159175D+01
      3  -0.130291D+00  0.157758D+01  0.228672D+01 -0.629576D+01 -0.225460D+01
                11            12            13            14            15 
      1  -0.159175D+01 -0.225460D+01 -0.265601D+01 -0.710387D+01 -0.281492D+00
      2  -0.218406D+01 -0.113386D+01 -0.710387D+01 -0.917958D+01 -0.138418D+01
      3  -0.113386D+01 -0.235098D+01 -0.281492D+00 -0.138418D+01 -0.130353D+00
                16            17            18            19            20 
      1  -0.458928D+01 -0.103026D+01 -0.157753D+01  0.153522D-05  0.873099D+01
      2  -0.103026D+01  0.294369D+00  0.228669D+01  0.873099D+01 -0.382614D-04
      3  -0.157753D+01  0.228669D+01  0.629583D+01  0.445730D-04  0.171338D+01
                21            22            23            24            25 
      1   0.445730D-04  0.774268D+01  0.718737D-04  0.782705D+00  0.937554D-04
      2   0.171338D+01  0.718737D-04  0.233712D+02  0.108080D-03  0.322823D+01
      3  -0.588499D-04  0.782705D+00  0.108080D-03  0.497261D+01  0.000000D+00
                26            27            28            29            30 
      1   0.322823D+01  0.000000D+00 -0.215307D+01 -0.153408D+01 -0.310586D+01
      2   0.885699D-04  0.619538D+01 -0.153408D+01 -0.116713D+01 -0.356332D+00
      3   0.619538D+01  0.793274D-04 -0.310586D+01 -0.356332D+00 -0.148315D+01
                31            32            33            34            35 
      1  -0.843394D+00 -0.485881D+01 -0.534498D+00 -0.391056D+01 -0.362727D+00
      2  -0.485881D+01  0.920742D+01 -0.235696D+00 -0.362727D+00 -0.103690D+01
      3  -0.534498D+00 -0.235696D+00 -0.243051D+01 -0.219836D+01 -0.187652D+01
                36            37            38            39            40 
      1  -0.219836D+01  0.215382D+01 -0.153400D+01  0.310568D+01 -0.843811D+00
      2  -0.187652D+01 -0.153400D+01  0.116813D+01 -0.356425D+00  0.485970D+01
      3   0.446696D+01  0.310568D+01 -0.356425D+00  0.148233D+01 -0.534524D+00
                41            42            43            44            45 
      1   0.485970D+01 -0.534524D+00  0.391061D+01 -0.362212D+00  0.219751D+01
      2   0.920684D+01  0.237372D+00 -0.362212D+00  0.103908D+01 -0.187583D+01
      3   0.237372D+00 -0.242977D+01  0.219751D+01 -0.187583D+01 -0.446841D+01
                46            47            48            49            50 
      1   0.220585D+00 -0.964576D+00  0.947798D+00 -0.748192D+00 -0.133178D-01
      2  -0.964576D+00 -0.198883D+00  0.188413D+00 -0.133178D-01 -0.400652D+00
      3   0.947798D+00  0.188413D+00 -0.940859D+00 -0.169655D+00  0.126308D+01
                51            52            53            54            55 
      1  -0.169655D+00  0.147745D+01 -0.444433D+00  0.125293D+00 -0.220574D+00
      2   0.126308D+01 -0.444433D+00  0.296290D+01 -0.327709D+01 -0.964566D+00
      3  -0.146648D+01  0.125293D+00 -0.327709D+01  0.763765D+01 -0.947844D+00
                56            57            58            59            60 
      1  -0.964566D+00 -0.947844D+00 -0.748216D+00  0.133064D-01 -0.169619D+00
      2   0.198921D+00  0.188442D+00  0.133064D-01 -0.400668D+00 -0.126310D+01
      3   0.188442D+00  0.940929D+00 -0.169619D+00 -0.126310D+01 -0.146659D+01
                61            62            63            64            65 
      1  -0.147740D+01 -0.444439D+00 -0.125257D+00  0.771527D+01  0.602481D+00
      2  -0.444439D+00 -0.296295D+01 -0.327710D+01  0.602481D+00  0.104230D+01
      3  -0.125257D+00 -0.327710D+01 -0.763767D+01  0.249081D+01  0.410016D+00
                66            67            68            69            70 
      1   0.249081D+01  0.297755D+01  0.163853D+01  0.849033D+00  0.416105D+01
      2   0.410016D+00  0.163853D+01  0.167543D-01  0.670911D+00  0.137093D+00
      3   0.190238D+01  0.849033D+00  0.670911D+00  0.112648D+01  0.239553D+01
                71            72            73            74            75 
      1   0.137093D+00  0.239553D+01  0.129062D+01 -0.130744D+01  0.449009D+00
      2   0.106189D+01  0.550490D+00 -0.130744D+01  0.789868D+00 -0.183163D-01
      3   0.550490D+00  0.171686D+01  0.449009D+00 -0.183163D-01  0.110390D+00
                76            77            78            79            80 
      1  -0.375629D+01  0.449012D+01  0.110835D+00  0.103729D+01 -0.333092D+00
      2   0.449012D+01 -0.109745D+02  0.179838D+00 -0.333092D+00  0.739220D+00
      3   0.110835D+00  0.179838D+00 -0.101871D+01  0.713102D+00 -0.111164D+01
                81            82            83            84            85 
      1   0.713102D+00  0.988367D+00  0.429818D+00 -0.728168D+00  0.115481D+01
      2  -0.111164D+01  0.429818D+00  0.233100D+00  0.532799D-01  0.551083D+00
      3   0.294502D-01 -0.728168D+00  0.532799D-01  0.913735D+00 -0.365693D+00
                86            87            88            89            90 
      1   0.551083D+00 -0.365693D+00 -0.224328D+01  0.419351D+00  0.208579D+01
      2  -0.355021D+00 -0.724544D+00  0.419351D+00 -0.123005D+01  0.330372D+00
      3  -0.724544D+00  0.143327D+01  0.208579D+01  0.330372D+00 -0.635065D+01
                91            92            93            94            95 
      1  -0.771554D+01  0.602927D+00 -0.249034D+01  0.297853D+01 -0.163893D+01
      2   0.602927D+00 -0.104264D+01  0.410178D+00 -0.163893D+01  0.171809D-01
      3  -0.249034D+01  0.410178D+00 -0.190190D+01  0.849175D+00 -0.671112D+00
                96            97            98            99           100 
      1   0.849175D+00 -0.416031D+01  0.137223D+00 -0.239501D+01 -0.129116D+01
      2  -0.671112D+00  0.137223D+00 -0.106204D+01  0.550562D+00 -0.130782D+01
      3   0.112659D+01 -0.239501D+01  0.550562D+00 -0.171602D+01 -0.449153D+00
               101           102           103           104           105 
      1  -0.130782D+01 -0.449153D+00 -0.375633D+01 -0.449048D+01  0.110489D+00
      2  -0.790552D+00 -0.184299D-01 -0.449048D+01 -0.109742D+02 -0.180929D+00
      3  -0.184299D-01 -0.110431D+00  0.110489D+00 -0.180929D+00 -0.101879D+01
               106           107           108           109           110 
      1  -0.103806D+01 -0.333878D+00 -0.713072D+00 -0.988028D+00  0.429725D+00
      2  -0.333878D+00 -0.740851D+00 -0.111176D+01  0.429725D+00 -0.233030D+00
      3  -0.713072D+00 -0.111176D+01 -0.298412D-01  0.728070D+00  0.534386D-01
               111           112           113           114           115 
      1   0.728070D+00  0.115443D+01 -0.551051D+00 -0.365418D+00  0.224318D+01
      2   0.534386D-01 -0.551051D+00 -0.355265D+00  0.724330D+00  0.419495D+00
      3  -0.913383D+00 -0.365418D+00  0.724330D+00  0.143255D+01 -0.208558D+01
               116           117 
      1   0.419495D+00 -0.208558D+01
      2   0.122980D+01  0.329722D+00
      3   0.329722D+00  0.635151D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.123917D+01  0.378973D+01 -0.785262D+00  0.120536D+00 -0.919697D+01
      2   0.199328D+01 -0.253370D+01  0.275618D+01  0.180887D+01 -0.289319D+01
      3   0.239705D+01 -0.789703D+01  0.244139D+01  0.127095D+01 -0.638952D-01
                 6             7             8             9            10 
      1   0.203156D+01 -0.522586D+01  0.791264D+01 -0.206367D+01  0.123882D+01
      2   0.253959D+01 -0.773005D+01  0.834253D+01 -0.554997D+01  0.199291D+01
      3   0.115173D+01  0.574258D+00 -0.394570D+00 -0.246110D+01 -0.239616D+01
                11            12            13            14            15 
      1   0.378951D+01  0.785493D+00  0.120157D+00  0.919637D+01  0.203166D+01
      2   0.253387D+01  0.275640D+01 -0.180861D+01 -0.289266D+01 -0.253953D+01
      3  -0.789705D+01 -0.244121D+01  0.127167D+01  0.646745D-01  0.115155D+01
                16            17            18            19            20 
      1   0.522604D+01  0.791258D+01  0.206383D+01  0.205275D-03 -0.797614D+01
      2  -0.773040D+01 -0.834237D+01 -0.555048D+01  0.449726D+01  0.887767D-04
      3  -0.574270D+00 -0.394921D+00  0.246075D+01 -0.203888D-03 -0.963518D+01
                21            22            23            24            25 
      1  -0.811740D-04 -0.426226D+01  0.373659D-04 -0.158431D+02  0.120243D-04
      2   0.727581D+01 -0.410705D-04  0.498126D+01  0.500088D-05 -0.968138D+01
      3  -0.125197D-03  0.188445D+02 -0.503775D-03  0.570501D+00 -0.247732D-03
                26            27            28            29            30 
      1   0.736299D+01  0.308574D-04 -0.169587D+01 -0.644436D+00 -0.202291D+01
      2  -0.741857D-04  0.364045D+00 -0.963376D+01 -0.108408D+00 -0.252423D+01
      3   0.365019D+01  0.142775D-04  0.931182D+01  0.159356D+01  0.373703D+01
                31            32            33            34            35 
      1  -0.505759D+00 -0.681510D+00 -0.348948D+01 -0.314356D+01  0.727694D+00
      2  -0.325027D+01  0.858670D+00 -0.618937D+01 -0.922342D+01 -0.309075D+01
      3   0.153641D+02 -0.175050D+02  0.157082D+01  0.425526D+01  0.195693D+01
                36            37            38            39            40 
      1   0.581585D+01  0.169556D+01 -0.644290D+00  0.202171D+01 -0.505158D+00
      2   0.970401D+01 -0.963233D+01  0.108963D+00 -0.252204D+01  0.324967D+01
      3   0.763874D+01 -0.931363D+01  0.159551D+01 -0.373769D+01  0.153668D+02
                41            42            43            44            45 
      1   0.683551D+00 -0.348818D+01  0.314194D+01  0.728469D+00 -0.581674D+01
      2   0.854096D+00  0.618773D+01 -0.922070D+01  0.308945D+01  0.970783D+01
      3   0.175026D+02  0.157540D+01 -0.425493D+01  0.196147D+01 -0.763576D+01
                46            47            48            49            50 
      1  -0.690198D+00  0.224052D+00 -0.358905D+00  0.517803D+00 -0.150152D+00
      2   0.176565D+01  0.127801D+01 -0.934006D-01  0.185722D+01  0.107880D+01
      3   0.497466D+00 -0.201289D-01 -0.550798D+00  0.195123D+01  0.129464D+01
                51            52            53            54            55 
      1  -0.233065D+01 -0.113977D+01  0.307276D+01  0.255461D+01  0.690159D+00
      2  -0.234922D+01 -0.300212D+01 -0.349401D+01  0.664176D+01  0.176572D+01
      3  -0.163897D+01 -0.128697D+01 -0.203809D+01  0.242880D+01 -0.497459D+00
                56            57            58            59            60 
      1   0.224075D+00  0.359034D+00  0.517853D+00  0.150277D+00 -0.233065D+01
      2  -0.127801D+01 -0.934607D-01 -0.185728D+01  0.107879D+01  0.234935D+01
      3  -0.200204D-01  0.550898D+00  0.195135D+01 -0.129464D+01 -0.163898D+01
                61            62            63            64            65 
      1   0.113975D+01  0.307274D+01 -0.255462D+01  0.198376D+01  0.713137D+00
      2  -0.300204D+01  0.349402D+01  0.664169D+01  0.490563D+01  0.100296D+01
      3   0.128692D+01 -0.203820D+01 -0.242877D+01 -0.981126D+01 -0.550824D+01
                66            67            68            69            70 
      1   0.131709D+01  0.877286D+00  0.532041D+00  0.601757D-01  0.116178D+01
      2   0.681130D+01  0.182134D+01  0.122121D+01  0.355313D+01  0.360796D+01
      3  -0.365090D+01 -0.492553D+01 -0.234320D+01 -0.249561D+01 -0.466882D+01
                71            72            73            74            75 
      1   0.183441D+01  0.849111D+00 -0.122485D+00 -0.167996D+00  0.937015D+00
      2   0.150008D+01  0.441599D+01  0.523955D+00 -0.174725D+00  0.163227D+01
      3  -0.348399D+01 -0.368361D+01  0.375821D+00 -0.209965D+01 -0.204214D+00
                76            77            78            79            80 
      1   0.773870D+00  0.370350D+00 -0.441377D+01  0.109519D+01 -0.579514D+00
      2   0.152763D+01 -0.111073D+01 -0.329877D+01  0.646714D+00 -0.182859D+01
      3  -0.306362D+01  0.216138D+02 -0.786334D+00 -0.538484D+00 -0.104363D+01
                81            82            83            84            85 
      1  -0.583748D+00 -0.910735D+00  0.734945D-01  0.106744D+01  0.308481D+00
      2  -0.584588D+00 -0.176442D+01  0.395880D+00  0.304199D+01  0.848409D+00
      3   0.820180D+00 -0.145481D+01 -0.114499D+01  0.877556D+00 -0.598267D+00
                86            87            88            89            90 
      1  -0.147184D+01  0.801442D+00  0.209662D+01  0.324475D+01 -0.672625D+01
      2  -0.164539D+01  0.329945D+01  0.112033D+01  0.137695D+01 -0.148478D+02
      3  -0.627057D+00  0.195174D+01  0.166225D+01  0.317830D+01 -0.396077D+01
                91            92            93            94            95 
      1  -0.198297D+01  0.713132D+00 -0.131642D+01  0.877216D+00 -0.532147D+00
      2   0.490445D+01 -0.100343D+01  0.681013D+01 -0.182152D+01  0.122173D+01
      3   0.981302D+01 -0.550931D+01  0.365087D+01 -0.492765D+01  0.234487D+01
                96            97            98            99           100 
      1   0.599504D-01 -0.116114D+01  0.183422D+01 -0.848353D+00  0.122448D+00
      2  -0.355364D+01  0.360688D+01 -0.150015D+01  0.441369D+01  0.524070D+00
      3  -0.249652D+01  0.466872D+01 -0.348422D+01  0.368318D+01 -0.375805D+00
               101           102           103           104           105 
      1  -0.168050D+00 -0.937145D+00  0.773381D+00 -0.371205D+00 -0.441394D+01
      2   0.174845D+00  0.163229D+01 -0.152710D+01 -0.110798D+01  0.329902D+01
      3  -0.210099D+01  0.204115D+00 -0.306455D+01 -0.216126D+02 -0.788654D+00
               106           107           108           109           110 
      1  -0.109489D+01 -0.579719D+00  0.582837D+00  0.910477D+00  0.737831D-01
      2   0.646012D+00  0.182848D+01 -0.583635D+00 -0.176447D+01 -0.396281D+00
      3   0.538213D+00 -0.104665D+01 -0.820613D+00  0.145416D+01 -0.114486D+01
               111           112           113           114           115 
      1  -0.106705D+01  0.308634D+00  0.147114D+01  0.800663D+00 -0.209613D+01
      2   0.304108D+01 -0.848317D+00 -0.164462D+01 -0.329775D+01  0.111943D+01
      3  -0.876985D+00 -0.598188D+00  0.626249D+00  0.195066D+01 -0.166189D+01
               116           117 
      1   0.324436D+01  0.672716D+01
      2  -0.137556D+01 -0.148499D+02
      3   0.317737D+01  0.395894D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.193507D+00 -0.581228D+01  0.354386D+01 -0.954924D+00  0.105972D+02
      2  -0.252823D+01  0.823803D+01 -0.572522D+01  0.394062D+01 -0.668767D+01
      3   0.272174D+01 -0.242575D+01  0.218136D+01 -0.298569D+01 -0.390949D+01
      4  -0.259287D+01 -0.212873D+00 -0.206481D+01 -0.104025D+01 -0.266839D+01
      5   0.541794D+01 -0.215771D+01 -0.471720D+00 -0.348096D+00 -0.284354D+01
      6  -0.172242D+01 -0.218117D+01  0.346240D+01  0.630913D+00  0.334525D+01
                 6             7             8             9            10 
      1  -0.629237D+01  0.262163D+01 -0.473602D+01  0.827898D+01 -0.191586D+00
      2   0.435851D+01 -0.276766D+01  0.229457D+01 -0.103823D+01 -0.253007D+01
      3   0.193385D+01  0.146032D+00  0.244146D+01 -0.724075D+01  0.272166D+01
      4   0.851512D+00 -0.101848D+01 -0.100201D+01 -0.272403D+01  0.259286D+01
      5   0.778546D+01  0.576955D+01  0.293459D+00 -0.650840D+01  0.541785D+01
      6  -0.909203D+01 -0.229027D+01 -0.532913D+00  0.707431D+01  0.172272D+01
                11            12            13            14            15 
      1   0.581332D+01  0.354432D+01  0.955724D+00  0.105995D+02  0.629274D+01
      2  -0.823840D+01 -0.572580D+01 -0.394087D+01 -0.668924D+01 -0.435861D+01
      3   0.242508D+01  0.218148D+01  0.298515D+01 -0.391023D+01 -0.193413D+01
      4  -0.212565D+00  0.206461D+01 -0.104013D+01  0.266875D+01  0.852211D+00
      5   0.215851D+01 -0.471396D+00  0.348802D+00 -0.284163D+01 -0.778505D+01
      6  -0.218077D+01 -0.346245D+01  0.631607D+00 -0.334501D+01 -0.909248D+01
                16            17            18            19            20 
      1   0.262151D+01  0.473556D+01  0.827793D+01  0.633568D+01 -0.257555D-03
      2  -0.276767D+01 -0.229415D+01 -0.103770D+01  0.686678D+01  0.129683D-03
      3   0.146159D+00 -0.244140D+01 -0.724023D+01 -0.132025D+02  0.127872D-03
      4   0.101851D+01 -0.100156D+01  0.272467D+01 -0.220407D-04  0.343541D+02
      5   0.576826D+01 -0.293231D+00 -0.650893D+01 -0.266503D+01 -0.166243D-03
      6   0.229052D+01 -0.532827D+00 -0.707487D+01 -0.149294D-03  0.790853D+01
                21            22            23            24            25 
      1  -0.674813D+01 -0.517995D-03 -0.535470D+02 -0.335222D-03 -0.262911D+01
      2   0.829592D+01  0.339117D-03  0.797616D+02  0.400329D-03  0.707363D+01
      3  -0.154780D+01  0.178878D-03 -0.262146D+02 -0.651071D-04 -0.444452D+01
      4   0.753409D-04  0.240557D+02 -0.798476D-04 -0.260025D+00 -0.271792D-04
      5   0.173019D+02 -0.432845D-03  0.431968D+01 -0.424385D-04  0.138971D+02
      6  -0.152636D-04  0.162923D+01 -0.390241D-04  0.322167D+02 -0.117930D-03
                26            27            28            29            30 
      1  -0.242035D-03 -0.215855D+02 -0.112180D+02 -0.120607D+02 -0.158986D+02
      2   0.255162D-03  0.230236D+01  0.945378D+01  0.977539D+01  0.943654D+01
      3  -0.131270D-04  0.192831D+02  0.176427D+01  0.228530D+01  0.646207D+01
      4   0.342150D+01 -0.216707D-03 -0.110058D+02 -0.143455D+01  0.732129D-01
      5  -0.362002D-03 -0.220090D+01 -0.190297D+02 -0.161587D+01 -0.832729D+01
      6   0.333625D+02  0.673400D-05  0.350007D+01 -0.143251D-01  0.176070D+01
                31            32            33            34            35 
      1  -0.177019D+02  0.484958D+01 -0.580682D+01 -0.197450D+02 -0.230439D+01
      2   0.182796D+02 -0.203536D+02  0.281418D+01  0.894293D+01  0.168467D+01
      3  -0.577701D+00  0.155040D+02  0.299265D+01  0.108021D+02  0.619716D+00
      4  -0.112152D+02  0.306514D+02 -0.242183D+01  0.500662D+00 -0.328068D+01
      5  -0.284103D+01 -0.295376D+01 -0.114197D+02 -0.116187D+02 -0.789568D+01
      6   0.881573D-01  0.160802D+01  0.261751D+01  0.142367D+01  0.414237D+01
                36            37            38            39            40 
      1  -0.869153D+01 -0.112216D+02  0.120625D+02 -0.158976D+02  0.177055D+02
      2   0.131525D+02  0.945542D+01 -0.977807D+01  0.943627D+01 -0.182824D+02
      3  -0.446093D+01  0.176618D+01 -0.228443D+01  0.646136D+01  0.576844D+00
      4  -0.691310D+01  0.110078D+02 -0.143812D+01 -0.715080D-01 -0.112198D+02
      5   0.178489D+02 -0.190278D+02  0.161628D+01 -0.832270D+01  0.284108D+01
      6  -0.653879D+01 -0.349953D+01 -0.146163D-01 -0.175968D+01  0.853969D-01
                41            42            43            44            45 
      1   0.484291D+01  0.581042D+01 -0.197434D+02  0.230740D+01 -0.868409D+01
      2  -0.203493D+02 -0.281985D+01  0.894078D+01 -0.169141D+01  0.131482D+02
      3   0.155064D+02 -0.299057D+01  0.108026D+02 -0.615985D+00 -0.446413D+01
      4  -0.306512D+02 -0.242873D+01 -0.500196D+00 -0.328823D+01  0.691029D+01
      5  -0.296196D+01  0.114156D+02 -0.116127D+02  0.789238D+01  0.178553D+02
      6  -0.161424D+01  0.261659D+01 -0.142339D+01  0.414100D+01  0.654241D+01
                46            47            48            49            50 
      1   0.124652D+01 -0.145919D+01  0.273913D+01 -0.113389D+01 -0.651868D+01
      2  -0.295262D+01  0.257726D+00 -0.240508D+00  0.118848D+01  0.230189D+01
      3   0.170610D+01  0.120146D+01 -0.249862D+01 -0.545941D-01  0.421679D+01
      4  -0.437820D+00  0.336843D+01 -0.215015D+01  0.309611D+01 -0.185341D+00
      5  -0.119626D-01 -0.180888D+01  0.534361D+01 -0.170147D+01  0.189723D+01
      6  -0.192235D+01 -0.192045D+01  0.113484D+01 -0.765926D+00 -0.585844D+01
                51            52            53            54            55 
      1   0.498558D+01  0.178744D+01  0.548672D+01 -0.173678D+02  0.124671D+01
      2  -0.502606D+00 -0.164162D+01  0.307859D+01 -0.100639D+02 -0.295258D+01
      3  -0.448298D+01 -0.145819D+00 -0.856531D+01  0.274318D+02  0.170588D+01
      4   0.220977D+00 -0.299879D+01  0.986478D+00  0.506646D+00  0.437756D+00
      5  -0.246445D+01  0.318093D+01 -0.303676D+01  0.791684D+01 -0.118590D-01
      6   0.108620D+02 -0.113348D+00  0.871144D+01 -0.145346D+02  0.192245D+01
                56            57            58            59            60 
      1   0.145930D+01  0.273930D+01  0.113397D+01 -0.651880D+01 -0.498571D+01
      2  -0.257860D+00 -0.240455D+00 -0.118883D+01  0.230173D+01  0.502650D+00
      3  -0.120144D+01 -0.249884D+01  0.548650D-01  0.421707D+01  0.448306D+01
      4   0.336840D+01  0.215023D+01  0.309591D+01  0.185114D+00  0.220890D+00
      5   0.180894D+01  0.534350D+01  0.170123D+01  0.189703D+01  0.246462D+01
      6  -0.192053D+01 -0.113495D+01 -0.765956D+00  0.585858D+01  0.108622D+02
                61            62            63            64            65 
      1   0.178730D+01 -0.548657D+01 -0.173676D+02  0.470440D+02  0.654968D+01
      2  -0.164137D+01 -0.307866D+01 -0.100641D+02 -0.282024D+02 -0.533014D+01
      3  -0.145924D+00  0.856524D+01  0.274317D+02 -0.188416D+02 -0.121954D+01
      4   0.299890D+01  0.986561D+00 -0.506821D+00  0.132171D+01  0.739800D+01
      5   0.318103D+01  0.303670D+01  0.791660D+01  0.172525D+02  0.235265D+01
      6   0.113219D+00  0.871146D+01  0.145348D+02 -0.179758D+01  0.102728D+00
                66            67            68            69            70 
      1   0.143922D+02  0.171429D+02  0.468801D+01  0.454361D+01  0.204988D+02
      2  -0.934699D+01 -0.112114D+02 -0.569129D+00 -0.358846D+01 -0.138246D+02
      3  -0.504523D+01 -0.593149D+01 -0.411888D+01 -0.955157D+00 -0.667419D+01
      4   0.112024D+01  0.933761D+01  0.254529D+01  0.392301D+01 -0.150956D+00
      5   0.136999D+02  0.583426D+01  0.375448D+01  0.677533D+01  0.162823D+02
      6  -0.257119D+01  0.487629D+00  0.877192D+00  0.730687D+00 -0.156464D+01
                71            72            73            74            75 
      1   0.163592D+01  0.959355D+01  0.612723D+01 -0.459368D+01  0.204839D+01
      2  -0.228546D+01 -0.103825D+02  0.507698D+00 -0.911018D+00 -0.110916D+01
      3   0.649542D+00  0.788946D+00 -0.663493D+01  0.550469D+01 -0.939233D+00
      4   0.522567D+01  0.210296D+01 -0.818184D+01  0.116305D+02  0.106959D+00
      5   0.286468D+01  0.115705D+02  0.162181D+01  0.232600D+00  0.271571D+01
      6   0.126201D+01 -0.633797D+00 -0.211008D+00 -0.181280D+00 -0.914910D+00
                76            77            78            79            80 
      1  -0.617831D+01 -0.125362D+02  0.112105D+01  0.343686D+01  0.298549D+00
      2  -0.647746D+01  0.373598D+02 -0.153613D+01 -0.173644D+01 -0.104380D+01
      3   0.126558D+02 -0.248236D+02  0.415085D+00 -0.170041D+01  0.745255D+00
      4   0.238473D+02 -0.455811D+02  0.968741D+00 -0.102853D+01  0.201970D+01
      5   0.800300D+00  0.911434D+00 -0.569853D+01  0.472000D+01 -0.476785D+01
      6  -0.580666D+00  0.555994D+00  0.731587D+01 -0.284274D+01  0.695016D+01
                81            82            83            84            85 
      1  -0.552696D+00  0.560839D+01  0.186493D+01 -0.334600D+01  0.549342D+01
      2   0.145831D+01 -0.560268D+01 -0.140869D+01  0.278494D+01 -0.440593D+01
      3  -0.905619D+00 -0.571345D-02 -0.456233D+00  0.561063D+00 -0.108749D+01
      4  -0.402051D+01  0.131846D+01  0.186294D+01  0.117310D+00  0.278381D+01
      5  -0.488866D+00 -0.383918D+01 -0.531770D+00  0.891304D+01 -0.214939D+01
      6  -0.294750D+00  0.279638D+00  0.240234D+00 -0.119530D+01 -0.596155D+00
                86            87            88            89            90 
      1  -0.833455D+00  0.695819D-01 -0.733790D+01  0.697131D-01 -0.817279D+00
      2   0.112138D+01  0.257278D+01  0.743826D+01  0.213687D+01 -0.146268D+02
      3  -0.287924D+00 -0.264236D+01 -0.100357D+00 -0.220659D+01  0.154441D+02
      4  -0.529366D+00 -0.333379D+01  0.269512D+01 -0.565995D+01  0.249522D+01
      5  -0.292617D+01  0.663599D+01  0.135547D+02  0.214161D+01 -0.291596D+02
      6  -0.662474D+00  0.198213D+01 -0.232317D+01  0.257515D+01  0.815700D+01
                91            92            93            94            95 
      1   0.470459D+02 -0.655308D+01  0.143898D+02 -0.171486D+02  0.469039D+01
      2  -0.282034D+02  0.533227D+01 -0.934548D+01  0.112147D+02 -0.570315D+00
      3  -0.188425D+02  0.122081D+01 -0.504429D+01  0.593384D+01 -0.412008D+01
      4  -0.132632D+01  0.739891D+01 -0.112166D+01  0.933970D+01 -0.254786D+01
      5   0.172486D+02 -0.235365D+01  0.136969D+02 -0.583487D+01  0.375530D+01
      6   0.179641D+01  0.102270D+00  0.257019D+01  0.487602D+00 -0.876683D+00
                96            97            98            99           100 
      1  -0.454482D+01  0.204954D+02 -0.163682D+01  0.959133D+01  0.612929D+01
      2   0.358942D+01 -0.138220D+02  0.228648D+01 -0.103802D+02  0.507074D+00
      3   0.955394D+00 -0.667341D+01 -0.649655D+00  0.788886D+00 -0.663637D+01
      4   0.392373D+01  0.149050D+00  0.522563D+01 -0.210403D+01  0.818408D+01
      5  -0.677610D+01  0.162787D+02 -0.286531D+01  0.115654D+02  0.162266D+01
      6   0.730441D+00  0.156332D+01  0.126185D+01  0.631981D+00  0.212036D+00
               101           102           103           104           105 
      1   0.459389D+01  0.204897D+01  0.617843D+01 -0.125325D+02 -0.112275D+01
      2   0.912327D+00 -0.110912D+01  0.647828D+01  0.373568D+02  0.153919D+01
      3  -0.550621D+01 -0.939853D+00 -0.126567D+02 -0.248243D+02 -0.416435D+00
      4   0.116331D+02 -0.105721D+00  0.238497D+02  0.455817D+02  0.973348D+00
      5  -0.231360D+00  0.271569D+01 -0.798026D+00  0.916610D+00  0.569931D+01
      6  -0.180789D+00  0.915269D+00 -0.578380D+00 -0.550134D+00  0.731586D+01
               106           107           108           109           110 
      1   0.343831D+01 -0.299987D+00 -0.553303D+00  0.560652D+01 -0.186447D+01
      2  -0.173652D+01  0.104743D+01  0.145881D+01 -0.560152D+01  0.140832D+01
      3  -0.170179D+01 -0.747439D+00 -0.905510D+00 -0.500112D-02  0.456156D+00
      4   0.103169D+01  0.202603D+01  0.402145D+01 -0.131797D+01  0.186277D+01
      5   0.471967D+01  0.476878D+01 -0.486955D+00 -0.383819D+01  0.530555D+00
      6   0.284303D+01  0.695039D+01  0.297203D+00 -0.280290D+00  0.240164D+00
               111           112           113           114           115 
      1  -0.334549D+01 -0.549188D+01 -0.833533D+00 -0.702592D-01 -0.733691D+01
      2   0.278400D+01  0.440483D+01  0.112144D+01 -0.257131D+01  0.743728D+01
      3   0.561491D+00  0.108705D+01 -0.287911D+00  0.264157D+01 -0.100373D+00
      4  -0.118665D+00  0.278383D+01  0.531030D+00 -0.333246D+01 -0.269696D+01
      5   0.891165D+01  0.214764D+01 -0.292471D+01 -0.663246D+01  0.135533D+02
      6   0.119511D+01 -0.595859D+00  0.662108D+00  0.198322D+01  0.232391D+01
               116           117 
      1  -0.699049D-01 -0.821116D+00
      2  -0.213545D+01 -0.146258D+02
      3   0.220535D+01  0.154470D+02
      4  -0.565914D+01 -0.249251D+01
      5  -0.213844D+01 -0.291623D+02
      6   0.257647D+01 -0.816083D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 22:17:00 2021, MaxMem= 10737418240 cpu:            4355.7 elap:             272.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -89.03051 -10.34153 -10.34124 -10.29908 -10.29908
 Alpha  occ. eigenvalues --   -8.04797  -5.99754  -5.99381  -5.98679  -0.97742
 Alpha  occ. eigenvalues --   -0.84566  -0.80402  -0.68694  -0.67461  -0.55813
 Alpha  occ. eigenvalues --   -0.54818  -0.51059  -0.50442  -0.47261  -0.47192
 Alpha  occ. eigenvalues --   -0.44767  -0.37821  -0.37340  -0.30504
 Alpha virt. eigenvalues --    0.03617   0.04423   0.04874   0.05615   0.06503
 Alpha virt. eigenvalues --    0.06823   0.07383   0.08516   0.08560   0.09528
 Alpha virt. eigenvalues --    0.12160   0.12194   0.13165   0.14246   0.14993
 Alpha virt. eigenvalues --    0.15251   0.15657   0.16448   0.16459   0.16663
 Alpha virt. eigenvalues --    0.17133   0.17176   0.18551   0.19078   0.19419
 Alpha virt. eigenvalues --    0.19788   0.22072   0.22730   0.25063   0.25082
 Alpha virt. eigenvalues --    0.26754   0.27053   0.27853   0.29335   0.29636
 Alpha virt. eigenvalues --    0.31521   0.33907   0.34400   0.35493   0.38069
 Alpha virt. eigenvalues --    0.38732   0.38909   0.40397   0.40417   0.40805
 Alpha virt. eigenvalues --    0.41882   0.42049   0.42608   0.42698   0.43427
 Alpha virt. eigenvalues --    0.44515   0.45689   0.49804   0.50005   0.50191
 Alpha virt. eigenvalues --    0.50726   0.51301   0.53574   0.53614   0.54181
 Alpha virt. eigenvalues --    0.55579   0.56027   0.57274   0.57768   0.58434
 Alpha virt. eigenvalues --    0.59900   0.60697   0.62154   0.62999   0.64130
 Alpha virt. eigenvalues --    0.65032   0.65553   0.66264   0.67904   0.68790
 Alpha virt. eigenvalues --    0.71327   0.71537   0.73716   0.75213   0.75557
 Alpha virt. eigenvalues --    0.75865   0.77807   0.78090   0.78550   0.81486
 Alpha virt. eigenvalues --    0.83289   0.86131   0.86647   0.87295   0.89148
 Alpha virt. eigenvalues --    0.91201   0.93637   0.96999   0.98074   0.98177
 Alpha virt. eigenvalues --    1.01993   1.02453   1.04105   1.05445   1.07678
 Alpha virt. eigenvalues --    1.07819   1.09567   1.13168   1.13401   1.18307
 Alpha virt. eigenvalues --    1.19475   1.23449   1.24425   1.25751   1.31062
 Alpha virt. eigenvalues --    1.37718   1.42091   1.45583   1.49041   1.50520
 Alpha virt. eigenvalues --    1.51410   1.53322   1.57801   1.59617   1.61480
 Alpha virt. eigenvalues --    1.62732   1.67127   1.68219   1.71980   1.72739
 Alpha virt. eigenvalues --    1.74688   1.76654   1.81525   1.81983   1.85689
 Alpha virt. eigenvalues --    1.87924   1.88208   1.92784   1.94280   1.98780
 Alpha virt. eigenvalues --    2.01347   2.04979   2.05755   2.05950   2.09282
 Alpha virt. eigenvalues --    2.12543   2.13621   2.14119   2.14697   2.15414
 Alpha virt. eigenvalues --    2.22999   2.29501   2.30120   2.31157   2.36825
 Alpha virt. eigenvalues --    2.37787   2.47025   2.49674   2.51453   2.51553
 Alpha virt. eigenvalues --    2.56967   2.59148   2.63486   2.65238   2.73484
 Alpha virt. eigenvalues --    2.77445   2.78361   2.84189   2.85127   2.85360
 Alpha virt. eigenvalues --    2.98530   3.30720
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.915048  -0.410102   0.188591   0.626024  -0.367966  -0.046570
     2  C   -0.410102   5.914953   0.188631  -0.367926   0.626009  -0.466960
     3  S    0.188591   0.188631  16.030561  -0.103188  -0.103179  -0.077624
     4  C    0.626024  -0.367926  -0.103188   4.601763  -0.017285  -0.055696
     5  C   -0.367966   0.626009  -0.103179  -0.017285   4.601791   0.001984
     6  H   -0.046570  -0.466960  -0.077624  -0.055696   0.001984   2.313751
     7  H   -0.466948  -0.046521  -0.077631   0.001973  -0.055711   0.026264
     8  H    0.062995   0.052841  -0.006490   0.248955  -0.008807  -0.041334
     9  H    0.023823   0.026636   0.034586   0.244237   0.021977  -0.079057
    10  H   -0.009799  -0.178608  -0.051975   0.409521  -0.011968   0.091992
    11  H    0.052848   0.063013  -0.006513  -0.008807   0.248963   0.021254
    12  H    0.026640   0.023835   0.034583   0.021975   0.244232  -0.016133
    13  H   -0.178645  -0.009837  -0.051944  -0.011970   0.409549  -0.046396
               7          8          9         10         11         12
     1  C   -0.466948   0.062995   0.023823  -0.009799   0.052848   0.026640
     2  C   -0.046521   0.052841   0.026636  -0.178608   0.063013   0.023835
     3  S   -0.077631  -0.006490   0.034586  -0.051975  -0.006513   0.034583
     4  C    0.001973   0.248955   0.244237   0.409521  -0.008807   0.021975
     5  C   -0.055711  -0.008807   0.021977  -0.011968   0.248963   0.244232
     6  H    0.026264  -0.041334  -0.079057   0.091992   0.021254  -0.016133
     7  H    2.313704   0.021256  -0.016132  -0.046391  -0.041314  -0.079089
     8  H    0.021256   1.164481  -0.183914  -0.210467  -0.000825   0.000192
     9  H   -0.016132  -0.183914   1.265688  -0.253555   0.000192   0.001663
    10  H   -0.046391  -0.210467  -0.253555   1.444739  -0.000516   0.003624
    11  H   -0.041314  -0.000825   0.000192  -0.000516   1.164415  -0.183922
    12  H   -0.079089   0.000192   0.001663   0.003624  -0.183922   1.265719
    13  H    0.091996  -0.000516   0.003626  -0.004941  -0.210443  -0.253540
              13
     1  C   -0.178645
     2  C   -0.009837
     3  S   -0.051944
     4  C   -0.011970
     5  C    0.409549
     6  H   -0.046396
     7  H    0.091996
     8  H   -0.000516
     9  H    0.003626
    10  H   -0.004941
    11  H   -0.210443
    12  H   -0.253540
    13  H    1.444733
 Mulliken charges:
               1
     1  C    0.584061
     2  C    0.584035
     3  S    0.001592
     4  C    0.410423
     5  C    0.410411
     6  H   -0.625475
     7  H   -0.625455
     8  H   -0.098367
     9  H   -0.089770
    10  H   -0.181656
    11  H   -0.098347
    12  H   -0.089781
    13  H   -0.181673
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.041414
     2  C   -0.041420
     3  S    0.001592
     4  C    0.040631
     5  C    0.040611
 Electronic spatial extent (au):  <R**2>=            577.4381
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=             -2.3997    Z=             -0.0000  Tot=              2.3997
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -37.4680   YY=            -41.3613   ZZ=            -38.8311
   XY=              0.0000   XZ=              1.1435   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.7521   YY=             -2.1412   ZZ=              0.3891
   XY=              0.0000   XZ=              1.1435   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.0000  YYY=             -3.2874  ZZZ=              0.0003  XYY=             -0.0002
  XXY=             -1.2344  XXZ=              0.0000  XZZ=              0.0002  YZZ=             -2.6063
  YYZ=             -0.0003  XYZ=              1.3292
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -439.4260 YYYY=           -264.3242 ZZZZ=            -86.8737 XXXY=             -0.0003
 XXXZ=              6.3618 YYYX=              0.0003 YYYZ=              0.0010 ZZZX=              0.2893
 ZZZY=             -0.0003 XXYY=           -121.4051 XXZZ=            -88.1634 YYZZ=            -64.9961
 XXYZ=             -0.0003 YYXZ=              3.6926 ZZXY=              0.0003
 N-N= 2.267540736472D+02 E-N=-1.763651008786D+03  KE= 5.533666441452D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 22:17:01 2021, MaxMem= 10737418240 cpu:               4.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.67430693D-06-8.57372714D-01 9.30935562D-08
 Polarizability= 7.13328262D+01-2.51586110D-05 7.29207391D+01
                 1.90754977D+00 1.52007075D-04 5.43334485D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0780   -0.0788       -0.0000   -0.0000
 2      0.0780    0.0788       -0.0001   -0.0001        0.9456    0.9525
 3      0.0000    0.0000        8.3185    8.3127        0.0001    0.0001
 4      0.0001    0.0001       -0.0000    0.0000        0.0000    0.0000
 5     -9.2640   -9.2652       -0.0000   -0.0000       -0.0773   -0.0788
 6     -0.0001   -0.0001        0.0773    0.0788       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.2364    0.2364       -0.0000   -0.0000
 2      0.0002    0.0002       -0.0000    0.0000       -0.0000   -0.0000
 3      0.0002    0.0002        0.2364    0.2364       -0.0000    0.0000
 4      0.2364    0.2364       -0.0002   -0.0002        2.8574    2.8574
 5      0.0000    0.0000       24.9381   24.9381        0.0002    0.0002
 6    -27.7955  -27.7955       -0.0000   -0.0000       -0.2364   -0.2364
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.4213    0.3152        0.0000    0.0000
 2     -0.9459   -0.3152        0.0003    0.0003       -4.4908   -3.8098
 3     -0.0001   -0.0000      -33.2377  -33.2508       -0.0003   -0.0003
 4     -0.0003   -0.0003        0.1657    0.0000        0.0000   -0.0000
 5     36.7740   37.0606        0.0000    0.0000        0.3256    0.3152
 6      0.0003    0.0003       -0.4386   -0.3152        0.0000    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0001    0.0000        2.1196    2.4765       -0.0003   -0.0004
 2     -2.3242   -2.4765       -0.0003   -0.0003      -11.8512  -11.7511
 3      0.0006    0.0004        2.2678    2.1960        0.0001    0.0003
 4      0.0002    0.0003        0.1013    0.0000        0.0004    0.0004
 5      9.4214    9.5550       -0.0003   -0.0004        1.9854    2.4765
 6     -0.0002   -0.0003       -2.1540   -2.4765       -0.0000    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0019   -0.0019       31.9063   31.6657        0.0027    0.0028
 2     -0.0026   -0.0023       45.6012   45.6807        0.0028    0.0028
 3     -0.0026   -0.0023       31.7395   31.6657        0.0022    0.0023
 4    -13.8635  -14.0150        0.0005    0.0004       10.7422   10.8579
 5     -0.0004   -0.0005       -6.2719   -6.4466       -0.0006   -0.0004
 6     -5.1841   -4.4114        0.0007    0.0005       12.8456   14.0150
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.0016   -1.1227   -0.0009    0.0003    0.0019    3.6006
 Low frequencies ---  209.1279  224.7636  237.1799
 Diagonal vibrational polarizability:
        1.3601567       3.4058184       0.7297063
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    209.1277               224.7631               237.1799
 Red. masses --      1.3772                 1.0856                 1.5655
 Frc consts  --      0.0355                 0.0323                 0.0519
 IR Inten    --      0.3954                 0.0473                 0.7830
 RamAct Fr= 1--      0.8978                 0.0475                 0.8203
  Dep-P Fr= 1--      0.7449                 0.7500                 0.5224
  Dep-U Fr= 1--      0.8538                 0.8571                 0.6863
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0036
 Beta2  Fr= 1--      0.1278                 0.0068                 0.0938
 AlphaG Fr= 1--      0.0004                 0.0000                -0.0178
 Gamma2 Fr= 1--      0.6204                -0.0815                -0.2787
 Delta2 Fr= 1--     -0.3903                 0.0538                 0.1553
 Raman1 Fr= 1--       3.591                  0.190                  3.281
 ROA1   Fr= 1--      47.073                 -6.108                -21.789
 CID1   Fr= 1--      13.108                -32.133                 -6.641
 Raman2 Fr= 1--       1.533                  0.081                  1.126
 ROA2   Fr= 1--      18.013                 -2.387                 -7.932
 CID2   Fr= 1--      11.750                -29.305                 -7.044
 Raman3 Fr= 1--       3.066                  0.163                  2.252
 ROA3   Fr= 1--      47.073                 -6.108                -21.789
 CID3   Fr= 1--      15.353                -37.488                 -9.676
 RC180  Fr= 1--       0.708                  0.714                  0.373
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05  -0.00    -0.00  -0.00   0.01    -0.00  -0.06   0.01
     2   6    -0.01  -0.05   0.00    -0.00   0.00   0.01     0.00  -0.06  -0.01
     3  16     0.00  -0.05   0.00     0.02   0.00   0.03    -0.00  -0.07   0.00
     4   6     0.05   0.09   0.01    -0.02   0.00  -0.04     0.05   0.11  -0.01
     5   6    -0.05   0.09  -0.01    -0.02  -0.00  -0.04    -0.05   0.11   0.01
     6   1     0.02  -0.05   0.00     0.03  -0.00   0.02     0.01  -0.10  -0.00
     7   1    -0.02  -0.05  -0.00     0.03   0.00   0.02    -0.01  -0.10   0.00
     8   1    -0.00   0.44  -0.18     0.01   0.31  -0.32    -0.02  -0.05   0.22
     9   1     0.32   0.13   0.30     0.14   0.04   0.31     0.08   0.09  -0.38
    10   1    -0.10  -0.17  -0.08    -0.22  -0.33  -0.16     0.15   0.48   0.10
    11   1     0.00   0.44   0.18     0.01  -0.31  -0.32     0.02  -0.05  -0.22
    12   1    -0.32   0.13  -0.30     0.14  -0.04   0.31    -0.08   0.09   0.38
    13   1     0.09  -0.17   0.08    -0.22   0.33  -0.16    -0.15   0.48  -0.10
                      4                      5                      6
                      A                      A                      A
 Frequencies --    298.6248               336.0273               444.9399
 Red. masses --      2.2151                 3.9331                 2.8344
 Frc consts  --      0.1164                 0.2617                 0.3306
 IR Inten    --      0.1657                 1.7124                 0.2554
 RamAct Fr= 1--      0.0441                 3.9537                 5.5746
  Dep-P Fr= 1--      0.7500                 0.7500                 0.0470
  Dep-U Fr= 1--      0.8571                 0.8571                 0.0898
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1109
 Beta2  Fr= 1--      0.0063                 0.5648                 0.0834
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0200
 Gamma2 Fr= 1--     -0.2016                -0.5043                 0.0290
 Delta2 Fr= 1--     -0.0072                 0.0012                -0.0109
 Raman1 Fr= 1--       0.176                 15.815                 22.298
 ROA1   Fr= 1--     -19.585                -48.372                  2.438
 CID1   Fr= 1--    -111.042                 -3.059                  0.109
 Raman2 Fr= 1--       0.076                  6.778                  1.001
 ROA2   Fr= 1--      -4.781                -12.112                  0.785
 CID2   Fr= 1--     -63.246                 -1.787                  0.784
 Raman3 Fr= 1--       0.151                 13.556                  2.002
 ROA3   Fr= 1--     -19.585                -48.372                  2.438
 CID3   Fr= 1--    -129.549                 -3.568                  1.218
 RC180  Fr= 1--       0.714                  0.714                 -0.820
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.07   0.17    -0.15  -0.03   0.03     0.12   0.02  -0.12
     2   6     0.07  -0.07   0.17    -0.15   0.03   0.03    -0.12   0.02   0.12
     3  16     0.00  -0.00  -0.02     0.21  -0.00  -0.03    -0.00   0.04   0.00
     4   6    -0.06   0.01  -0.11    -0.10   0.19   0.01     0.21  -0.07   0.02
     5   6    -0.06  -0.01  -0.11    -0.10  -0.19   0.01    -0.21  -0.07  -0.02
     6   1     0.20   0.18   0.22    -0.15  -0.04   0.03     0.25   0.14  -0.07
     7   1     0.20  -0.18   0.22    -0.15   0.04   0.03    -0.25   0.14   0.07
     8   1     0.12  -0.18  -0.22    -0.21   0.28   0.09     0.09  -0.08   0.20
     9   1    -0.18  -0.02  -0.31     0.13   0.20  -0.15     0.16  -0.07   0.09
    10   1    -0.26   0.16  -0.09    -0.15   0.39   0.06     0.47  -0.11   0.03
    11   1     0.12   0.18  -0.22    -0.21  -0.28   0.09    -0.09  -0.08  -0.20
    12   1    -0.18   0.02  -0.31     0.13  -0.20  -0.15    -0.16  -0.07  -0.09
    13   1    -0.26  -0.16  -0.09    -0.15  -0.39   0.06    -0.47  -0.11  -0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    599.4854               616.5952               839.6924
 Red. masses --      7.5805                 4.0588                 2.0572
 Frc consts  --      1.6051                 0.9092                 0.8546
 IR Inten    --     25.6985                 2.5850                 1.5768
 RamAct Fr= 1--     28.0954                17.1580                10.2248
  Dep-P Fr= 1--      0.1515                 0.7500                 0.1682
  Dep-U Fr= 1--      0.2632                 0.8571                 0.2880
 Alpha2 Fr= 1--      0.4326                 0.0000                 0.1509
 Beta2  Fr= 1--      1.2324                 2.4511                 0.4908
 AlphaG Fr= 1--      0.2163                 0.0000                 0.0138
 Gamma2 Fr= 1--      3.2172                -4.5440                -2.4749
 Delta2 Fr= 1--      0.0272                -1.1683                 0.4372
 Raman1 Fr= 1--     112.382                 68.632                 40.899
 ROA1   Fr= 1--     309.723               -473.611               -223.603
 CID1   Fr= 1--       2.756                 -6.901                 -5.467
 Raman2 Fr= 1--      14.789                 29.414                  5.889
 ROA2   Fr= 1--      76.995                -99.710                -62.896
 CID2   Fr= 1--       5.206                 -3.390                -10.680
 Raman3 Fr= 1--      29.579                 58.827                 11.778
 ROA3   Fr= 1--     309.723               -473.611               -223.603
 CID3   Fr= 1--      10.471                 -8.051                -18.985
 RC180  Fr= 1--      -0.474                  0.714                 -0.424
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.37  -0.04     0.00   0.31  -0.13    -0.02  -0.02  -0.16
     2   6     0.12  -0.37   0.04     0.00  -0.31  -0.13     0.02  -0.02   0.16
     3  16     0.00   0.32   0.00     0.07  -0.00   0.09    -0.00  -0.03  -0.00
     4   6    -0.00  -0.05  -0.02    -0.07   0.05   0.01    -0.14   0.04  -0.01
     5   6     0.00  -0.05   0.02    -0.07  -0.05   0.01     0.14   0.04   0.01
     6   1    -0.09  -0.24  -0.01     0.04   0.24  -0.14     0.18   0.05  -0.11
     7   1     0.09  -0.24   0.01     0.04  -0.24  -0.14    -0.18   0.05   0.11
     8   1    -0.19   0.17   0.07    -0.01  -0.12   0.06    -0.40   0.11   0.31
     9   1     0.35  -0.03  -0.13    -0.43   0.03   0.20    -0.14   0.06   0.22
    10   1    -0.05   0.11   0.02     0.15  -0.16  -0.03     0.27  -0.06   0.01
    11   1     0.19   0.17  -0.07    -0.01   0.12   0.06     0.40   0.11  -0.31
    12   1    -0.35  -0.03   0.13    -0.43  -0.03   0.20     0.14   0.06  -0.22
    13   1     0.05   0.11  -0.02     0.15   0.16  -0.03    -0.27  -0.06  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    970.5395               996.2112              1007.6387
 Red. masses --      1.1475                 1.1191                 1.4723
 Frc consts  --      0.6368                 0.6544                 0.8808
 IR Inten    --      7.0527                 1.4604                 6.8214
 RamAct Fr= 1--      0.9610                 2.0854                 4.1440
  Dep-P Fr= 1--      0.7500                 0.1368                 0.7500
  Dep-U Fr= 1--      0.8571                 0.2407                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0333                 0.0000
 Beta2  Fr= 1--      0.1373                 0.0837                 0.5920
 AlphaG Fr= 1--     -0.0000                 0.0997                 0.0000
 Gamma2 Fr= 1--      0.5259                -0.9553                -1.6786
 Delta2 Fr= 1--      0.0010                -0.9844                 1.3698
 Raman1 Fr= 1--       3.844                  8.342                 16.576
 ROA1   Fr= 1--      50.515               -123.207               -117.312
 CID1   Fr= 1--      13.141                -14.770                 -7.077
 Raman2 Fr= 1--       1.647                  1.004                  7.104
 ROA2   Fr= 1--      12.613                -15.051                -51.245
 CID2   Fr= 1--       7.656                -14.990                 -7.214
 Raman3 Fr= 1--       3.295                  2.008                 14.208
 ROA3   Fr= 1--      50.515               -123.207               -117.312
 CID3   Fr= 1--      15.332                -61.354                 -8.257
 RC180  Fr= 1--       0.714                 -0.519                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00  -0.00     0.01  -0.00  -0.03     0.07  -0.07   0.02
     2   6    -0.03  -0.00  -0.00    -0.01  -0.00   0.03     0.07   0.07   0.02
     3  16    -0.00  -0.00   0.02     0.00  -0.01   0.00    -0.00  -0.00  -0.01
     4   6    -0.00  -0.05  -0.05    -0.03  -0.05   0.03    -0.08   0.06  -0.04
     5   6    -0.00   0.05  -0.05     0.03  -0.05  -0.03    -0.08  -0.06  -0.04
     6   1     0.24   0.45   0.14     0.03   0.55   0.10     0.35  -0.21   0.04
     7   1     0.24  -0.45   0.14    -0.03   0.55  -0.10     0.35   0.21   0.04
     8   1    -0.24   0.14   0.15    -0.09   0.14  -0.03    -0.20  -0.04   0.21
     9   1     0.27  -0.02  -0.01     0.26  -0.03  -0.15    -0.25   0.06   0.25
    10   1     0.20   0.05   0.01    -0.18   0.17   0.07     0.27  -0.15  -0.05
    11   1    -0.24  -0.14   0.15     0.09   0.14   0.03    -0.20   0.04   0.21
    12   1     0.27   0.02  -0.01    -0.26  -0.03   0.15    -0.25  -0.06   0.25
    13   1     0.20  -0.05   0.01     0.18   0.17  -0.07     0.27   0.15  -0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --   1081.2906              1084.5669              1116.4943
 Red. masses --      1.4620                 2.4386                 1.5803
 Frc consts  --      1.0071                 1.6901                 1.1607
 IR Inten    --     12.6244                 6.9021                 9.5539
 RamAct Fr= 1--      5.4160                 1.1414                 2.3350
  Dep-P Fr= 1--      0.2319                 0.7500                 0.7500
  Dep-U Fr= 1--      0.3765                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0675                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3398                 0.1631                 0.3336
 AlphaG Fr= 1--      0.0393                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.1503                -2.7077                -0.1860
 Delta2 Fr= 1--     -0.7542                -0.7389                -0.3076
 Raman1 Fr= 1--      21.664                  4.566                  9.340
 ROA1   Fr= 1--      -9.705               -283.589                -27.699
 CID1   Fr= 1--      -0.448                -62.112                 -2.966
 Raman2 Fr= 1--       4.078                  1.957                  4.003
 ROA2   Fr= 1--       9.642                -59.075                 -2.004
 CID2   Fr= 1--       2.364                -30.190                 -0.501
 Raman3 Fr= 1--       8.156                  3.914                  8.006
 ROA3   Fr= 1--      -9.705               -283.589                -27.699
 CID3   Fr= 1--      -1.190                -72.464                 -3.460
 RC180  Fr= 1--      -0.247                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.09  -0.02     0.14  -0.09  -0.12    -0.09  -0.08  -0.01
     2   6    -0.03  -0.09   0.02     0.14   0.09  -0.12    -0.09   0.08  -0.01
     3  16     0.00   0.00  -0.00    -0.01   0.00   0.02     0.01  -0.00   0.01
     4   6     0.01   0.09   0.05    -0.10   0.02   0.11     0.07   0.08  -0.01
     5   6    -0.01   0.09  -0.05    -0.10  -0.02   0.11     0.07  -0.08  -0.01
     6   1     0.24   0.30   0.11     0.12   0.42  -0.02     0.03   0.40   0.12
     7   1    -0.24   0.30  -0.11     0.12  -0.42  -0.02     0.03  -0.40   0.12
     8   1     0.25  -0.20  -0.09     0.00   0.06  -0.08     0.28  -0.23  -0.08
     9   1    -0.40   0.04   0.04    -0.08   0.01  -0.10    -0.31   0.04   0.05
    10   1    -0.16  -0.12  -0.03    -0.43   0.14   0.10     0.05  -0.21  -0.09
    11   1    -0.25  -0.20   0.09     0.00  -0.06  -0.08     0.28   0.23  -0.08
    12   1     0.40   0.04  -0.04    -0.07  -0.01  -0.10    -0.31  -0.04   0.05
    13   1     0.16  -0.12   0.03    -0.43  -0.14   0.10     0.05   0.21  -0.09
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1181.9917              1209.2001              1333.5710
 Red. masses --      1.7776                 1.7166                 1.2358
 Frc consts  --      1.4632                 1.4788                 1.2949
 IR Inten    --      0.4644                 2.9901                 4.5762
 RamAct Fr= 1--      3.4974                14.0923                 0.7809
  Dep-P Fr= 1--      0.0536                 0.2658                 0.7500
  Dep-U Fr= 1--      0.1017                 0.4199                 0.8571
 Alpha2 Fr= 1--      0.0685                 0.1597                 0.0000
 Beta2  Fr= 1--      0.0593                 0.9863                 0.1116
 AlphaG Fr= 1--     -0.0752                -0.2306                 0.0000
 Gamma2 Fr= 1--      0.6883                -0.7532                -0.5897
 Delta2 Fr= 1--      0.1400                -0.1453                -0.0064
 Raman1 Fr= 1--      13.990                 56.369                  3.124
 ROA1   Fr= 1--      70.555                -76.962                -56.810
 CID1   Fr= 1--       5.043                 -1.365                -18.187
 Raman2 Fr= 1--       0.711                 11.835                  1.339
 ROA2   Fr= 1--      15.399                -16.915                -14.101
 CID2   Fr= 1--      21.652                 -1.429                -10.533
 Raman3 Fr= 1--       1.422                 23.670                  2.677
 ROA3   Fr= 1--      70.555                -76.962                -56.810
 CID3   Fr= 1--      49.600                 -3.251                -21.218
 RC180  Fr= 1--      -0.797                 -0.160                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.02  -0.12    -0.11   0.01  -0.12    -0.07   0.02  -0.03
     2   6    -0.09   0.02   0.12     0.11   0.01   0.12    -0.07  -0.02  -0.03
     3  16     0.00   0.01  -0.00     0.00  -0.02   0.00     0.00  -0.00  -0.00
     4   6    -0.03  -0.01   0.11     0.06   0.02   0.00     0.01  -0.01   0.06
     5   6     0.03  -0.01  -0.11    -0.06   0.02  -0.00     0.01   0.01   0.06
     6   1     0.04  -0.40  -0.22    -0.59   0.16  -0.18     0.60  -0.23   0.03
     7   1    -0.04  -0.40   0.22     0.59   0.16   0.18     0.60   0.23   0.03
     8   1     0.09   0.07  -0.14     0.16  -0.06  -0.09     0.14   0.02  -0.14
     9   1     0.01  -0.02  -0.15    -0.11   0.00  -0.07     0.04  -0.02  -0.15
    10   1    -0.40   0.15   0.10    -0.03  -0.08  -0.04    -0.08   0.00   0.04
    11   1    -0.09   0.07   0.14    -0.16  -0.06   0.09     0.14  -0.02  -0.14
    12   1    -0.01  -0.02   0.15     0.11   0.00   0.07     0.04   0.02  -0.15
    13   1     0.40   0.15  -0.10     0.03  -0.08   0.04    -0.08  -0.00   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1414.1948              1414.9195              1432.2579
 Red. masses --      1.2185                 1.2506                 1.9642
 Frc consts  --      1.4358                 1.4751                 2.3739
 IR Inten    --      0.9937                 8.4806                 8.4026
 RamAct Fr= 1--      0.3179                 1.2462                 4.1875
  Dep-P Fr= 1--      0.3742                 0.7500                 0.1529
  Dep-U Fr= 1--      0.5446                 0.8571                 0.2652
 Alpha2 Fr= 1--      0.0026                 0.0000                 0.0643
 Beta2  Fr= 1--      0.0289                 0.1780                 0.1851
 AlphaG Fr= 1--     -0.0079                -0.0000                -0.0257
 Gamma2 Fr= 1--     -0.4042                 0.1348                -0.7910
 Delta2 Fr= 1--     -0.0050                -0.1541                 0.2160
 Raman1 Fr= 1--       1.272                  4.985                 16.750
 ROA1   Fr= 1--     -38.960                  8.010                -69.023
 CID1   Fr= 1--     -30.635                  1.607                 -4.121
 Raman2 Fr= 1--       0.346                  2.136                  2.221
 ROA2   Fr= 1--      -9.660                  4.468                -20.712
 CID2   Fr= 1--     -27.896                  2.091                 -9.326
 Raman3 Fr= 1--       0.693                  4.273                  4.442
 ROA3   Fr= 1--     -38.960                  8.010                -69.023
 CID3   Fr= 1--     -56.253                  1.875                -15.540
 RC180  Fr= 1--       0.089                  0.714                 -0.470
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.01     0.02  -0.00   0.00    -0.18   0.05  -0.03
     2   6     0.03   0.01   0.01     0.02   0.00   0.00     0.18   0.05   0.03
     3  16     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.01   0.00
     4   6    -0.08   0.03   0.04    -0.09   0.03   0.03     0.07  -0.03   0.03
     5   6     0.08   0.03  -0.04    -0.09  -0.04   0.03    -0.07  -0.03  -0.03
     6   1     0.10  -0.02  -0.00    -0.07   0.02  -0.01     0.56  -0.11   0.07
     7   1    -0.11  -0.02   0.00    -0.07  -0.02  -0.01    -0.56  -0.11  -0.07
     8   1     0.24  -0.18  -0.22     0.22  -0.23  -0.20    -0.03   0.18  -0.01
     9   1     0.36   0.04  -0.24     0.39   0.05  -0.16    -0.13  -0.06  -0.22
    10   1     0.32  -0.23   0.01     0.35  -0.21   0.00    -0.14  -0.07  -0.01
    11   1    -0.24  -0.18   0.22     0.22   0.23  -0.20     0.03   0.18   0.01
    12   1    -0.35   0.04   0.24     0.39  -0.05  -0.16     0.13  -0.06   0.22
    13   1    -0.31  -0.23  -0.01     0.35   0.21   0.01     0.14  -0.07   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1481.9876              1486.9626              1496.7428
 Red. masses --      1.0422                 1.0804                 1.0408
 Frc consts  --      1.3487                 1.4074                 1.3738
 IR Inten    --      9.9779                 6.0692                 9.8631
 RamAct Fr= 1--      4.5626                 3.2459                 8.0342
  Dep-P Fr= 1--      0.7500                 0.7485                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8562                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.6518                 0.4632                 1.1477
 AlphaG Fr= 1--      0.0000                 0.0043                -0.0000
 Gamma2 Fr= 1--      0.7620                 2.6482                -3.9284
 Delta2 Fr= 1--      1.6514                -0.0164                -2.2262
 Raman1 Fr= 1--      18.250                 12.983                 32.137
 ROA1   Fr= 1--     125.997                253.702               -448.364
 CID1   Fr= 1--       6.904                 19.540                -13.952
 Raman2 Fr= 1--       7.822                  5.558                 13.773
 ROA2   Fr= 1--       5.077                 63.688                -76.472
 CID2   Fr= 1--       0.649                 11.459                 -5.552
 Raman3 Fr= 1--      15.643                 11.116                 27.546
 ROA3   Fr= 1--     125.997                253.702               -448.364
 CID3   Fr= 1--       8.054                 22.823                -16.277
 RC180  Fr= 1--       0.714                  0.712                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.01    -0.04  -0.00  -0.02     0.01  -0.01   0.01
     2   6    -0.01   0.01  -0.01     0.04  -0.00   0.02     0.01   0.01   0.01
     3  16     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.02  -0.02  -0.02    -0.02  -0.03  -0.01    -0.01  -0.03   0.02
     5   6    -0.02   0.02  -0.02     0.02  -0.03   0.01    -0.01   0.03   0.02
     6   1     0.04   0.00   0.00     0.10  -0.00   0.00    -0.06   0.03   0.01
     7   1     0.04  -0.00   0.00    -0.10  -0.00  -0.00    -0.06  -0.03   0.01
     8   1     0.18  -0.16  -0.17     0.21  -0.06  -0.27     0.02   0.38  -0.33
     9   1     0.07   0.02   0.45    -0.00   0.01   0.37    -0.30  -0.05  -0.13
    10   1     0.06   0.43   0.12     0.14   0.43   0.14     0.36   0.11   0.09
    11   1     0.18   0.16  -0.17    -0.21  -0.06   0.27     0.02  -0.37  -0.32
    12   1     0.07  -0.02   0.45     0.00   0.01  -0.37    -0.29   0.05  -0.12
    13   1     0.06  -0.43   0.12    -0.14   0.43  -0.14     0.35  -0.11   0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1496.8401              3022.3890              3023.5479
 Red. masses --      1.0650                 1.0409                 1.0407
 Frc consts  --      1.4060                 5.6020                 5.6056
 IR Inten    --      1.2565                32.5842                29.1358
 RamAct Fr= 1--      4.2399                37.5595               414.2738
  Dep-P Fr= 1--      0.7218                 0.7500                 0.0301
  Dep-U Fr= 1--      0.8384                 0.8571                 0.0585
 Alpha2 Fr= 1--      0.0021                 0.0000                 8.5777
 Beta2  Fr= 1--      0.5925                 5.3655                 4.0398
 AlphaG Fr= 1--     -0.0214                 0.0000                 1.9476
 Gamma2 Fr= 1--      2.6468                 0.3391                 7.5655
 Delta2 Fr= 1--      1.1415                -0.8628                -4.1568
 Raman1 Fr= 1--      16.960                150.238               1657.095
 ROA1   Fr= 1--     290.622                  4.938                593.274
 CID1   Fr= 1--      17.136                  0.033                  0.358
 Raman2 Fr= 1--       7.110                 64.386                 48.478
 ROA2   Fr= 1--      54.391                 15.040                214.827
 CID2   Fr= 1--       7.650                  0.234                  4.431
 Raman3 Fr= 1--      14.219                128.773                 96.956
 ROA3   Fr= 1--     290.622                  4.938                593.274
 CID3   Fr= 1--      20.439                  0.038                  6.119
 RC180  Fr= 1--       0.677                  0.714                 -0.883
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01   0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.03  -0.02  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
     3  16    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   6    -0.01  -0.02   0.02     0.02  -0.03  -0.01     0.02  -0.03  -0.01
     5   6     0.01  -0.02  -0.02     0.02   0.03  -0.01    -0.02  -0.03   0.01
     6   1    -0.08   0.02   0.01     0.00  -0.00   0.01    -0.00  -0.01   0.02
     7   1     0.08   0.02  -0.01     0.00   0.00   0.01     0.00  -0.01  -0.02
     8   1    -0.04   0.40  -0.26    -0.21  -0.13  -0.16    -0.21  -0.13  -0.16
     9   1    -0.31  -0.05  -0.21    -0.04   0.57  -0.04    -0.04   0.57  -0.04
    10   1     0.32   0.01   0.06    -0.03  -0.08   0.28    -0.03  -0.09   0.28
    11   1     0.04   0.41   0.27    -0.21   0.13  -0.16     0.21  -0.13   0.16
    12   1     0.32  -0.05   0.21    -0.04  -0.57  -0.04     0.04   0.57   0.04
    13   1    -0.33   0.02  -0.06    -0.03   0.08   0.27     0.03  -0.09  -0.28
                     28                     29                     30
                      A                      A                      A
 Frequencies --   3085.4594              3086.1435              3107.1081
 Red. masses --      1.0938                 1.0938                 1.0994
 Frc consts  --      6.1354                 6.1377                 6.2533
 IR Inten    --      9.4091                18.5080                16.9283
 RamAct Fr= 1--     39.8389               139.6872                20.0271
  Dep-P Fr= 1--      0.7500                 0.5614                 0.7499
  Dep-U Fr= 1--      0.8571                 0.7191                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.4999                 0.0000
 Beta2  Fr= 1--      5.6912                16.7416                 2.8609
 AlphaG Fr= 1--     -0.0000                -0.9135                 0.0000
 Gamma2 Fr= 1--     32.1251               -24.7018               -30.3428
 Delta2 Fr= 1--     19.1241               -14.8593               -28.6702
 Raman1 Fr= 1--     159.356                558.749                 80.108
 ROA1   Fr= 1--    3695.984              -2846.872              -3830.360
 CID1   Fr= 1--      23.193                 -5.095                -47.815
 Raman2 Fr= 1--      68.295                200.899                 34.331
 ROA2   Fr= 1--     618.010               -473.969               -498.867
 CID2   Fr= 1--       9.049                 -2.359                -14.531
 Raman3 Fr= 1--     136.590                401.799                 68.661
 ROA3   Fr= 1--    3695.984              -2846.872              -3830.360
 CID3   Fr= 1--      27.059                 -7.085                -55.786
 RC180  Fr= 1--       0.714                  0.438                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.02
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.02
     3  16     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.03   0.05  -0.01    -0.03  -0.05   0.01    -0.02  -0.00  -0.06
     5   6     0.03  -0.05  -0.01     0.03  -0.05  -0.01    -0.02   0.00  -0.06
     6   1     0.01   0.01  -0.05    -0.01  -0.01   0.05     0.05   0.06  -0.27
     7   1     0.01  -0.01  -0.05     0.01  -0.01  -0.05     0.05  -0.06  -0.27
     8   1    -0.35  -0.19  -0.26     0.36   0.19   0.27     0.31   0.17   0.21
     9   1     0.04  -0.39   0.03    -0.04   0.39  -0.03    -0.00  -0.03  -0.01
    10   1    -0.03  -0.08   0.33     0.03   0.08  -0.31    -0.06  -0.14   0.47
    11   1    -0.35   0.19  -0.26    -0.36   0.19  -0.26     0.31  -0.18   0.21
    12   1     0.04   0.39   0.03     0.04   0.39   0.03    -0.00   0.04  -0.01
    13   1    -0.03   0.08   0.33    -0.03   0.08   0.31    -0.06   0.14   0.48
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3107.4496              3124.3325              3134.2222
 Red. masses --      1.0978                 1.0925                 1.0893
 Frc consts  --      6.2455                 6.2834                 6.3044
 IR Inten    --      1.4913                 7.1933                30.4046
 RamAct Fr= 1--    140.3692               112.5885                25.8159
  Dep-P Fr= 1--      0.5958                 0.0558                 0.7500
  Dep-U Fr= 1--      0.7467                 0.1058                 0.8571
 Alpha2 Fr= 1--      0.4018                 2.1933                 0.0000
 Beta2  Fr= 1--     17.4699                 1.9844                 3.6880
 AlphaG Fr= 1--      0.0554                -3.1390                -0.0000
 Gamma2 Fr= 1--     42.6294               -10.2946                 3.5768
 Delta2 Fr= 1--     36.3189                -9.7502                 5.0149
 Raman1 Fr= 1--     561.477                450.354                103.264
 ROA1   Fr= 1--    5254.629              -1300.283                503.849
 CID1   Fr= 1--       9.359                 -2.887                  4.879
 Raman2 Fr= 1--     209.639                 23.813                 44.256
 ROA2   Fr= 1--     732.554               -169.068                 45.724
 CID2   Fr= 1--       3.494                 -7.100                  1.033
 Raman3 Fr= 1--     419.278                 47.627                 88.512
 ROA3   Fr= 1--    5254.629              -1300.283                503.849
 CID3   Fr= 1--      12.533                -27.302                  5.692
 RC180  Fr= 1--       0.493                 -0.788                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.03    -0.01  -0.01   0.05     0.01   0.01  -0.05
     2   6     0.01  -0.01  -0.03     0.01  -0.01  -0.05     0.01  -0.01  -0.05
     3  16     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   6    -0.02   0.00  -0.05     0.01  -0.01   0.03    -0.01   0.00  -0.02
     5   6     0.02   0.00   0.05    -0.01  -0.01  -0.03    -0.01  -0.00  -0.02
     6   1     0.06   0.07  -0.34     0.11   0.13  -0.59    -0.11  -0.14   0.62
     7   1    -0.06   0.07   0.34    -0.11   0.13   0.59    -0.11   0.14   0.62
     8   1     0.28   0.16   0.20    -0.14  -0.08  -0.09     0.11   0.06   0.07
     9   1    -0.00  -0.03  -0.01    -0.01   0.07   0.00     0.00  -0.05  -0.00
    10   1    -0.05  -0.13   0.46     0.03   0.08  -0.28    -0.03  -0.06   0.23
    11   1    -0.28   0.16  -0.20     0.14  -0.08   0.09     0.11  -0.06   0.07
    12   1     0.00  -0.03   0.01     0.01   0.07  -0.00     0.00   0.05  -0.00
    13   1     0.05  -0.13  -0.45    -0.03   0.08   0.28    -0.03   0.06   0.23

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number 16 and mass  31.97207
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Molecular mass:    88.03467 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   337.44898 512.27653 763.16157
           X            0.99997   0.00000  -0.00759
           Y           -0.00000   1.00000   0.00000
           Z            0.00759  -0.00000   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.25667     0.16908     0.11349
 Rotational constants (GHZ):           5.34819     3.52298     2.36482
 Zero-point vibrational energy     291305.6 (Joules/Mol)
                                   69.62372 (Kcal/Mol)
 Warning -- explicit consideration of   8 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    300.89   323.38   341.25   429.65   483.47
          (Kelvin)            640.17   862.53   887.14  1208.13  1396.39
                             1433.33  1449.77  1555.74  1560.45  1606.39
                             1700.62  1739.77  1918.71  2034.71  2035.75
                             2060.70  2132.25  2139.41  2153.48  2153.62
                             4348.54  4350.21  4439.29  4440.27  4470.44
                             4470.93  4495.22  4509.45
 
 Zero-point correction=                           0.110952 (Hartree/Particle)
 Thermal correction to Energy=                    0.117081
 Thermal correction to Enthalpy=                  0.118025
 Thermal correction to Gibbs Free Energy=         0.081573
 Sum of electronic and zero-point Energies=           -555.419213
 Sum of electronic and thermal Energies=              -555.413084
 Sum of electronic and thermal Enthalpies=            -555.412140
 Sum of electronic and thermal Free Energies=         -555.448593
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   73.470             21.817             76.721
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.338
 Rotational               0.889              2.981             26.381
 Vibrational             71.692             15.855             11.002
 Vibration     1          0.642              1.827              2.051
 Vibration     2          0.649              1.803              1.920
 Vibration     3          0.656              1.784              1.824
 Vibration     4          0.692              1.676              1.425
 Vibration     5          0.717              1.604              1.231
 Vibration     6          0.804              1.372              0.811
 Vibration     7          0.958              1.033              0.451
 Vibration     8          0.976              0.997              0.422
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.301378D-37        -37.520889        -86.395039
 Total V=0       0.326326D+14         13.513652         31.116333
 Vib (Bot)       0.713948D-50        -50.146333       -115.466199
 Vib (Bot)    1  0.950067D+00         -0.022246         -0.051223
 Vib (Bot)    2  0.878280D+00         -0.056367         -0.129790
 Vib (Bot)    3  0.827774D+00         -0.082088         -0.189015
 Vib (Bot)    4  0.637333D+00         -0.195634         -0.450463
 Vib (Bot)    5  0.553970D+00         -0.256514         -0.590645
 Vib (Bot)    6  0.386994D+00         -0.412295         -0.949345
 Vib (Bot)    7  0.249211D+00         -0.603432         -1.389454
 Vib (Bot)    8  0.238026D+00         -0.623376         -1.435376
 Vib (V=0)       0.773049D+01          0.888207          2.045173
 Vib (V=0)    1  0.157360D+01          0.196896          0.453369
 Vib (V=0)    2  0.151063D+01          0.179158          0.412528
 Vib (V=0)    3  0.146706D+01          0.166449          0.383262
 Vib (V=0)    4  0.131006D+01          0.117290          0.270071
 Vib (V=0)    5  0.124625D+01          0.095604          0.220136
 Vib (V=0)    6  0.113227D+01          0.053950          0.124224
 Vib (V=0)    7  0.105866D+01          0.024758          0.057008
 Vib (V=0)    8  0.105377D+01          0.022744          0.052370
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.324664D+08          7.511435         17.295717
 Rotational      0.130020D+06          5.114010         11.775443
 
                                                          ROA calculations.
                                                             IR Spectrum
 
  333333 33                                                          1111111  1     11 111 1                                         
  111100 00                                                          4444444  3     21 100 099    8        65     4    32 222        
  320088 22                                                          9988311  3     08 188 097    4        19     4    39 320        
  447765 42                                                          7772254  4     92 651 861    0        79     5    69 759        
 
  XXXXXX XX                                                          XXXXXXX  X     XX XXX XXX    X        XX     X    XX X X        
  XX XXX XX                                                           XXXXX   X     X  XXX X X             XX                        
  XX XXX XX                                                           XXXXX   X        XXX X X              X                        
  XX XXX XX                                                           XXXXX            XXX X X              X                        
  X  XXX XX                                                           X XXX            X X                  X                        
  X  XXX XX                                                           X X              X X                  X                        
  X  XX  XX                                                                              X                  X                        
  X  XX  XX                                                                              X                  X                        
  X  XX  XX                                                                                                 X                        
  X  XX  XX                                                                                                 X                        
  X   X  XX                                                                                                 X                        
  X      XX                                                                                                 X                        
  X      XX                                                                                                 X                        
  X      XX                                                                                                 X                        
  X      XX                                                                                                 X                        
  X      XX                                                                                                 X                        
  X      XX                                                                                                                          
  X      XX                                                                                                                          
  X       X                                                                                                                          
          X                                                                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007101   -0.000004127   -0.000000189
      2        6          -0.000004526   -0.000002047    0.000000634
      3       16          -0.000000268    0.000008362   -0.000000211
      4        6           0.000001636   -0.000004402    0.000000326
      5        6          -0.000004171   -0.000004117   -0.000000802
      6        1          -0.000006524   -0.000003578    0.000000299
      7        1           0.000005989   -0.000002536   -0.000000826
      8        1           0.000000115    0.000000567   -0.000000921
      9        1           0.000002865    0.000001575    0.000001191
     10        1          -0.000006435    0.000004558    0.000000667
     11        1           0.000000618   -0.000000444    0.000000910
     12        1          -0.000002603    0.000001032   -0.000000392
     13        1           0.000006205    0.000005158   -0.000000685
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000008362 RMS     0.000003468
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.507128D+00
      2 -0.699959D-01  0.234919D+00
      3 -0.780328D-02 -0.771161D-01  0.591197D+00
      4 -0.178999D+00  0.251354D-01 -0.822112D-01  0.507131D+00
      5 -0.251380D-01 -0.288134D-01 -0.147645D-01  0.699970D-01  0.234918D+00
      6 -0.822106D-01  0.147631D-01 -0.135959D+00 -0.780737D-02  0.771188D-01
      7 -0.310167D-01  0.229458D-01 -0.330697D-02 -0.310158D-01 -0.229440D-01
      8  0.556407D-01 -0.883263D-01  0.445656D-01 -0.556389D-01 -0.883249D-01
      9 -0.347798D-02  0.255119D-01 -0.345022D-01 -0.347708D-02 -0.255103D-01
     10 -0.183308D+00  0.318016D-01  0.434309D-01 -0.244598D-01  0.683691D-02
     11  0.327649D-01 -0.696949D-01 -0.165241D-01 -0.108214D-01 -0.311854D-04
     12  0.460062D-01 -0.111509D-01 -0.104352D+00 -0.155177D-01  0.432117D-02
     13 -0.244605D-01 -0.683639D-02  0.726258D-02 -0.183311D+00 -0.318026D-01
     14  0.108218D-01 -0.309827D-04 -0.828842D-02 -0.327659D-01 -0.696945D-01
     15 -0.155160D-01 -0.432163D-02  0.867532D-02  0.460100D-01  0.111523D-01
     16 -0.594038D-01 -0.796202D-02  0.501976D-01  0.270167D-02  0.586583D-02
     17 -0.129933D-01 -0.448381D-01  0.628196D-01  0.289830D-02  0.105467D-02
     18  0.467990D-01  0.579185D-01 -0.303023D+00  0.234323D-02  0.343792D-02
     19  0.270202D-02 -0.586617D-02 -0.246335D-01 -0.594049D-01  0.796271D-02
     20 -0.289853D-02  0.105473D-02  0.120397D-01  0.129943D-01 -0.448394D-01
     21  0.234332D-02 -0.343821D-02 -0.169829D-01  0.468005D-01 -0.579211D-01
     22 -0.246091D-01 -0.103976D-01 -0.177935D-01 -0.281906D-02 -0.411484D-03
     23  0.995190D-02  0.268470D-02  0.731833D-02  0.301885D-02  0.129122D-02
     24  0.107669D-01  0.547593D-02  0.801006D-02  0.153880D-02 -0.608953D-03
     25 -0.371411D-02  0.289149D-01 -0.231285D-02  0.247534D-02  0.130598D-03
     26  0.236963D-02 -0.983551D-02  0.412472D-03  0.219946D-03  0.216868D-03
     27  0.921147D-03 -0.109929D-01  0.214174D-03 -0.474341D-03  0.328911D-03
     28 -0.563272D-02 -0.844987D-02  0.310287D-01  0.165850D-02 -0.428850D-03
     29  0.220286D-02  0.823515D-03 -0.107787D-01 -0.513509D-03  0.549665D-03
     30  0.222243D-02  0.336099D-02 -0.129711D-01 -0.111418D-02  0.290984D-03
     31 -0.281901D-02  0.412034D-03  0.465354D-02 -0.246101D-01  0.104005D-01
     32 -0.301944D-02  0.129126D-02  0.986291D-03 -0.995298D-02  0.268599D-02
     33  0.153806D-02  0.608875D-03 -0.108530D-02  0.107661D-01 -0.547780D-02
     34  0.247448D-02 -0.130573D-03 -0.441224D-03 -0.371577D-02 -0.289143D-01
     35 -0.220165D-03  0.216433D-03 -0.298618D-03 -0.236966D-02 -0.983530D-02
     36 -0.474420D-03 -0.328500D-03  0.126937D-03  0.921629D-03  0.109927D-01
     37  0.165860D-02  0.428824D-03  0.192925D-02 -0.563101D-02  0.844562D-02
     38  0.513483D-03  0.549801D-03 -0.371421D-03 -0.220132D-02  0.822280D-03
     39 -0.111479D-02 -0.291050D-03  0.651645D-03  0.222163D-02 -0.336011D-02
                6             7             8             9            10 
      6  0.591196D+00
      7 -0.330617D-02  0.703721D-01
      8 -0.445644D-01 -0.215505D-05  0.239744D+00
      9 -0.345023D-01  0.148183D-01 -0.100083D-05  0.577827D-01
     10  0.726191D-02 -0.157424D-02  0.458469D-02 -0.146569D-02  0.498590D+00
     11  0.828824D-02  0.278724D-01 -0.194160D-01 -0.404471D-02  0.280309D-01
     12  0.867543D-02 -0.207048D-02  0.130362D-02  0.107580D-02  0.283320D-01
     13  0.434324D-01 -0.157473D-02 -0.458539D-02 -0.146651D-02 -0.790515D-03
     14  0.165262D-01 -0.278724D-01 -0.194156D-01  0.404428D-02  0.217599D-02
     15 -0.104353D+00 -0.207219D-02 -0.130530D-02  0.107571D-02 -0.129508D-02
     16 -0.246332D-01 -0.725945D-03  0.136948D-02 -0.282880D-02 -0.375653D-02
     17 -0.120402D-01  0.313902D-02 -0.153615D-01  0.228326D-01  0.174170D-02
     18 -0.169827D-01 -0.180955D-02 -0.398509D-03  0.278197D-02  0.717661D-03
     19  0.501993D-01 -0.725890D-03 -0.136907D-02 -0.282861D-02  0.188848D-02
     20 -0.628228D-01 -0.313875D-02 -0.153613D-01 -0.228323D-01 -0.943069D-03
     21 -0.303021D+00 -0.180959D-02  0.398748D-03  0.278233D-02  0.179131D-02
     22  0.465330D-02  0.138649D-02  0.447809D-03  0.227117D-04 -0.188188D+00
     23 -0.986336D-03 -0.131942D-02  0.144416D-02 -0.582878D-04 -0.823091D-01
     24 -0.108503D-02 -0.714970D-03  0.247949D-03 -0.371974D-05 -0.104420D+00
     25 -0.441161D-03 -0.459669D-02  0.339249D-02  0.103706D-02 -0.482144D-01
     26  0.298675D-03  0.139226D-02  0.100389D-02 -0.121899D-02  0.168367D-01
     27  0.127338D-03  0.124197D-02 -0.131400D-02  0.734912D-03 -0.571356D-03
     28  0.192897D-02  0.134052D-02 -0.494798D-03 -0.696569D-03 -0.494728D-01
     29  0.371498D-03 -0.690092D-03  0.783086D-03 -0.970266D-03 -0.823536D-02
     30  0.651375D-03 -0.749373D-03 -0.397067D-03  0.102165D-02  0.260267D-01
     31 -0.177902D-01  0.138716D-02 -0.447583D-03  0.226450D-04 -0.706194D-03
     32 -0.731726D-02  0.131949D-02  0.144452D-02  0.583095D-04 -0.443131D-03
     33  0.800865D-02 -0.714808D-03 -0.247709D-03 -0.363972D-05  0.300704D-03
     34 -0.231779D-02 -0.459643D-02 -0.339211D-02  0.103706D-02  0.140687D-03
     35 -0.413941D-03 -0.139240D-02  0.100368D-02  0.121888D-02 -0.583676D-04
     36  0.215914D-03  0.124280D-02  0.131490D-02  0.735229D-03 -0.902581D-04
     37  0.310306D-01  0.134013D-02  0.494876D-03 -0.696562D-03 -0.149436D-03
     38  0.107784D-01  0.690245D-03  0.782722D-03  0.969880D-03 -0.193936D-04
     39 -0.129714D-01 -0.748978D-03  0.397196D-03  0.102153D-02 -0.189108D-04
               11            12            13            14            15 
     11  0.538752D+00
     12 -0.154444D-01  0.564689D+00
     13 -0.217594D-02 -0.129528D-02  0.498592D+00
     14  0.185370D-02  0.167575D-02 -0.280279D-01  0.538753D+00
     15 -0.167526D-02 -0.241652D-02  0.283270D-01  0.154428D-01  0.564690D+00
     16 -0.671844D-02  0.274105D-01  0.188848D-02 -0.642169D-03 -0.763660D-03
     17  0.442218D-02 -0.963699D-02  0.943222D-03  0.134438D-03  0.624770D-03
     18  0.190956D-02 -0.747647D-02  0.179148D-02 -0.480924D-03  0.960105D-03
     19  0.642253D-03 -0.763157D-03 -0.375573D-02  0.671760D-02  0.274108D-01
     20  0.134680D-03 -0.624870D-03 -0.174187D-02  0.442133D-02  0.963726D-02
     21  0.480810D-03  0.960243D-03  0.717656D-03 -0.190942D-02 -0.747675D-02
     22 -0.800493D-01 -0.103125D+00 -0.706116D-03  0.125018D-02 -0.105928D-02
     23 -0.918318D-01 -0.587778D-01  0.443020D-03 -0.476152D-03  0.401558D-03
     24 -0.583921D-01 -0.123701D+00  0.300739D-03  0.564901D-04  0.558185D-03
     25  0.179874D-01 -0.744450D-03  0.140709D-03 -0.149837D-03  0.119905D-03
     26 -0.297495D+00  0.177090D-01  0.584127D-04 -0.674156D-04  0.158858D-03
     27  0.170517D-01 -0.491096D-01 -0.902533D-04  0.713054D-04 -0.203475D-05
     28 -0.663599D-02  0.228386D-01 -0.149485D-03 -0.203752D-03 -0.131518D-03
     29 -0.660120D-01  0.710106D-01  0.194272D-04 -0.137844D-03 -0.175408D-03
     30  0.685200D-01 -0.289194D+00 -0.188517D-04  0.415430D-04  0.293706D-03
     31 -0.125016D-02 -0.105936D-02 -0.188187D+00  0.800773D-01 -0.103101D+00
     32 -0.476139D-03 -0.401666D-03  0.823380D-01 -0.918633D-01  0.587851D-01
     33 -0.565755D-04  0.558225D-03 -0.104395D+00  0.583990D-01 -0.123667D+00
     34  0.149732D-03  0.119915D-03 -0.482174D-01 -0.180067D-01 -0.748936D-03
     35 -0.674233D-04 -0.158793D-03 -0.168564D-01 -0.297487D+00 -0.177524D-01
     36 -0.713869D-04 -0.202239D-05 -0.575701D-03 -0.170957D-01 -0.491158D-01
     37  0.203759D-03 -0.131534D-03 -0.494682D-01  0.662568D-02  0.228204D-01
     38 -0.137831D-03  0.175330D-03  0.822429D-02 -0.659890D-01 -0.709726D-01
     39 -0.417187D-04  0.293827D-03  0.260095D-01 -0.684829D-01 -0.289222D+00
               16            17            18            19            20 
     16  0.651911D-01
     17  0.442489D-02  0.536232D-01
     18 -0.493356D-01 -0.628000D-01  0.322111D+00
     19 -0.245448D-02 -0.168133D-02 -0.163390D-02  0.651912D-01
     20  0.168121D-02  0.511160D-03  0.170869D-02 -0.442530D-02  0.536245D-01
     21 -0.163384D-02 -0.170868D-02 -0.541957D-03 -0.493372D-01  0.628025D-01
     22  0.816917D-03 -0.301250D-04  0.415967D-03  0.298922D-03 -0.145855D-03
     23 -0.609238D-03 -0.609790D-04  0.916784D-05 -0.111523D-03 -0.123461D-03
     24 -0.656550D-03  0.366365D-03  0.464870D-03  0.278306D-03  0.272591D-04
     25  0.923391D-03 -0.892536D-03  0.219905D-03 -0.168364D-03 -0.832223D-04
     26  0.306206D-03  0.388683D-03 -0.429213D-03  0.229877D-03 -0.516715D-04
     27 -0.522543D-03  0.381837D-03  0.000000D+00  0.556734D-04  0.179595D-03
     28 -0.493239D-02  0.204910D-02  0.132165D-02 -0.378984D-03 -0.172010D-03
     29  0.211351D-02  0.247424D-03 -0.756007D-03 -0.289129D-03  0.537347D-04
     30  0.191721D-02 -0.789776D-03  0.761614D-03  0.514681D-03 -0.157236D-03
     31  0.298944D-03  0.145805D-03  0.201579D-03  0.816520D-03  0.299464D-04
     32  0.111512D-03 -0.123419D-03  0.373547D-04  0.609253D-03 -0.610322D-04
     33  0.278323D-03 -0.272065D-04  0.384980D-03 -0.656543D-03 -0.366263D-03
     34 -0.168379D-03  0.832130D-04 -0.323098D-03  0.923723D-03  0.892469D-03
     35 -0.229763D-03 -0.515801D-04 -0.132475D-03 -0.306062D-03  0.389067D-03
     36  0.556852D-04 -0.179681D-03 -0.317433D-04 -0.522751D-03 -0.381680D-03
     37 -0.379000D-03  0.172023D-03 -0.708300D-03 -0.493246D-02 -0.204929D-02
     38  0.289002D-03  0.538281D-04 -0.241533D-04 -0.211312D-02  0.247634D-03
     39  0.514882D-03  0.157307D-03  0.590715D-03  0.191691D-02  0.790144D-03
               21            22            23            24            25 
     21  0.322110D+00
     22  0.201603D-03  0.208653D+00
     23 -0.373099D-04  0.868365D-01  0.964569D-01
     24  0.384894D-03  0.112597D+00  0.651053D-01  0.129816D+00
     25 -0.323263D-03  0.241014D-02 -0.238611D-01  0.292424D-02  0.515864D-01
     26  0.132632D-03  0.540979D-03 -0.129534D-01  0.117960D-02 -0.221077D-01
     27 -0.317682D-04  0.202390D-02 -0.175946D-01  0.105903D-02 -0.223973D-03
     28 -0.708200D-03  0.320269D-02  0.777134D-02 -0.227573D-01 -0.784062D-03
     29  0.241036D-04  0.220931D-02  0.346254D-02 -0.135178D-01 -0.330796D-02
     30  0.590520D-03  0.185447D-02  0.466721D-02 -0.154548D-01 -0.319195D-03
     31  0.416010D-03 -0.558638D-03  0.215173D-03  0.188018D-03  0.115750D-03
     32 -0.916454D-05 -0.215201D-03  0.921641D-04  0.572802D-04  0.150200D-04
     33  0.464531D-03  0.188023D-03 -0.572839D-04 -0.411391D-04  0.504475D-04
     34  0.219842D-03  0.115705D-03 -0.150075D-04  0.504541D-04 -0.163691D-03
     35  0.429268D-03 -0.417681D-04 -0.631076D-05  0.302028D-04 -0.895574D-04
     36  0.000000D+00 -0.334627D-04  0.255061D-04 -0.262478D-04  0.207208D-04
     37  0.132186D-02 -0.356600D-05 -0.113006D-04 -0.955199D-04 -0.104370D-04
     38  0.755800D-03  0.665258D-05  0.203677D-04 -0.275172D-04  0.515911D-04
     39  0.761589D-03  0.546983D-04 -0.153838D-04  0.193496D-04 -0.739099D-05
               26            27            28            29            30 
     26  0.326037D+00
     27 -0.185638D-01  0.469492D-01
     28  0.466988D-04 -0.236276D-02  0.550430D-01
     29 -0.736887D-02  0.305180D-01  0.651587D-02  0.675630D-01
     30  0.337514D-03  0.117808D-03 -0.301701D-01 -0.758350D-01  0.314249D+00
     31  0.417559D-04 -0.334528D-04 -0.358872D-05 -0.664136D-05  0.546965D-04
     32 -0.631063D-05 -0.254969D-04  0.113022D-04  0.203741D-04  0.153930D-04
     33 -0.302147D-04 -0.262527D-04 -0.955399D-04  0.275271D-04  0.193761D-04
     34  0.895708D-04  0.207130D-04 -0.104429D-04 -0.515912D-04 -0.740951D-05
     35  0.151131D-03  0.141070D-04  0.242540D-04 -0.193207D-04 -0.275896D-04
     36 -0.141000D-04  0.176577D-04  0.152535D-04  0.545179D-04 -0.503937D-04
     37 -0.242638D-04  0.152726D-04  0.119769D-03  0.333072D-04 -0.211134D-03
     38 -0.193239D-04 -0.544900D-04 -0.332932D-04  0.347119D-04 -0.269511D-04
     39  0.275940D-04 -0.504220D-04 -0.211154D-03  0.269791D-04 -0.339089D-04
               31            32            33            34            35 
     31  0.208653D+00
     32 -0.868670D-01  0.964924D-01
     33  0.112571D+00 -0.651130D-01  0.129778D+00
     34  0.241213D-02  0.238606D-01  0.292833D-02  0.515894D-01
     35 -0.542467D-03 -0.129582D-01 -0.118224D-02  0.221291D-01  0.326029D+00
     36  0.202494D-02  0.175904D-01  0.106170D-02 -0.219291D-03  0.186123D-01
     37  0.320060D-02 -0.776740D-02 -0.227588D-01 -0.784046D-03 -0.467802D-04
     38 -0.220872D-02  0.346164D-02  0.135228D-01  0.330563D-02 -0.736333D-02
     39  0.185251D-02 -0.466355D-02 -0.154522D-01 -0.318569D-03 -0.338776D-03
               36            37            38            39 
     36  0.469560D-01
     37 -0.236514D-02  0.550391D-01
     38 -0.305193D-01 -0.650505D-02  0.675365D-01
     39  0.112406D-03 -0.301504D-01  0.757942D-01  0.314279D+00
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.776741D+02 -0.130128D-04  0.157588D+00
      2  -0.130128D-04  0.795790D+02  0.126078D-03
      3   0.157588D+00  0.126078D-03  0.610487D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.269193D+01  0.313430D-03 -0.985685D+00
      2   0.599206D-04  0.318360D+01 -0.599528D-04
      3   0.346221D+01 -0.236612D-03 -0.159391D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.288751D-03 -0.337288D+02  0.153521D-03
      2  -0.784983D-03  0.217769D+02 -0.213661D-02
      3   0.107373D-02  0.119519D+02  0.198309D-02
      4  -0.392494D+02 -0.117364D-02 -0.750870D+01
      5   0.279923D-03 -0.462462D+01  0.113463D-02
      6  -0.496382D+01 -0.255690D-02 -0.758379D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.404442D+01 -0.159172D+01  0.225455D+01 -0.265576D+01  0.710366D+01
      2  -0.159172D+01  0.218402D+01 -0.113379D+01  0.710366D+01 -0.917953D+01
      3   0.225455D+01 -0.113379D+01  0.235100D+01 -0.281339D+00  0.138393D+01
                 6             7             8             9            10 
      1  -0.281339D+00  0.458923D+01 -0.103035D+01  0.157758D+01 -0.404470D+01
      2   0.138393D+01 -0.103035D+01 -0.294565D+00  0.228672D+01 -0.159175D+01
      3  -0.130290D+00  0.157758D+01  0.228672D+01 -0.629576D+01 -0.225460D+01
                11            12            13            14            15 
      1  -0.159175D+01 -0.225460D+01 -0.265601D+01 -0.710387D+01 -0.281492D+00
      2  -0.218406D+01 -0.113386D+01 -0.710387D+01 -0.917958D+01 -0.138418D+01
      3  -0.113386D+01 -0.235098D+01 -0.281492D+00 -0.138418D+01 -0.130353D+00
                16            17            18            19            20 
      1  -0.458928D+01 -0.103026D+01 -0.157753D+01  0.000000D+00  0.873099D+01
      2  -0.103026D+01  0.294369D+00  0.228669D+01  0.873099D+01 -0.385794D-04
      3  -0.157753D+01  0.228669D+01  0.629583D+01  0.444386D-04  0.171338D+01
                21            22            23            24            25 
      1   0.444386D-04  0.774268D+01  0.715025D-04  0.782705D+00  0.934080D-04
      2   0.171338D+01  0.715025D-04  0.233712D+02  0.108214D-03  0.322823D+01
      3  -0.591175D-04  0.782705D+00  0.108214D-03  0.497261D+01 -0.128902D-05
                26            27            28            29            30 
      1   0.322823D+01 -0.128902D-05 -0.215307D+01 -0.153408D+01 -0.310586D+01
      2   0.889174D-04  0.619538D+01 -0.153408D+01 -0.116713D+01 -0.356332D+00
      3   0.619538D+01  0.793274D-04 -0.310586D+01 -0.356332D+00 -0.148315D+01
                31            32            33            34            35 
      1  -0.843394D+00 -0.485882D+01 -0.534498D+00 -0.391056D+01 -0.362727D+00
      2  -0.485882D+01  0.920742D+01 -0.235696D+00 -0.362727D+00 -0.103690D+01
      3  -0.534498D+00 -0.235696D+00 -0.243051D+01 -0.219836D+01 -0.187652D+01
                36            37            38            39            40 
      1  -0.219836D+01  0.215382D+01 -0.153400D+01  0.310568D+01 -0.843811D+00
      2  -0.187652D+01 -0.153400D+01  0.116813D+01 -0.356425D+00  0.485970D+01
      3   0.446696D+01  0.310568D+01 -0.356425D+00  0.148233D+01 -0.534524D+00
                41            42            43            44            45 
      1   0.485970D+01 -0.534524D+00  0.391061D+01 -0.362212D+00  0.219751D+01
      2   0.920684D+01  0.237372D+00 -0.362212D+00  0.103908D+01 -0.187583D+01
      3   0.237372D+00 -0.242977D+01  0.219751D+01 -0.187583D+01 -0.446841D+01
                46            47            48            49            50 
      1   0.220585D+00 -0.964576D+00  0.947798D+00 -0.748192D+00 -0.133179D-01
      2  -0.964576D+00 -0.198883D+00  0.188413D+00 -0.133179D-01 -0.400652D+00
      3   0.947798D+00  0.188413D+00 -0.940859D+00 -0.169655D+00  0.126308D+01
                51            52            53            54            55 
      1  -0.169655D+00  0.147745D+01 -0.444433D+00  0.125293D+00 -0.220574D+00
      2   0.126308D+01 -0.444433D+00  0.296290D+01 -0.327709D+01 -0.964566D+00
      3  -0.146648D+01  0.125293D+00 -0.327709D+01  0.763765D+01 -0.947844D+00
                56            57            58            59            60 
      1  -0.964566D+00 -0.947844D+00 -0.748216D+00  0.133063D-01 -0.169619D+00
      2   0.198921D+00  0.188442D+00  0.133063D-01 -0.400668D+00 -0.126310D+01
      3   0.188442D+00  0.940929D+00 -0.169619D+00 -0.126310D+01 -0.146659D+01
                61            62            63            64            65 
      1  -0.147740D+01 -0.444439D+00 -0.125257D+00  0.771526D+01  0.602482D+00
      2  -0.444439D+00 -0.296295D+01 -0.327710D+01  0.602482D+00  0.104230D+01
      3  -0.125257D+00 -0.327710D+01 -0.763767D+01  0.249081D+01  0.410017D+00
                66            67            68            69            70 
      1   0.249081D+01  0.297755D+01  0.163853D+01  0.849034D+00  0.416105D+01
      2   0.410017D+00  0.163853D+01  0.167545D-01  0.670911D+00  0.137093D+00
      3   0.190238D+01  0.849034D+00  0.670911D+00  0.112648D+01  0.239553D+01
                71            72            73            74            75 
      1   0.137093D+00  0.239553D+01  0.129062D+01 -0.130744D+01  0.449009D+00
      2   0.106189D+01  0.550490D+00 -0.130744D+01  0.789869D+00 -0.183163D-01
      3   0.550490D+00  0.171686D+01  0.449009D+00 -0.183163D-01  0.110390D+00
                76            77            78            79            80 
      1  -0.375629D+01  0.449012D+01  0.110835D+00  0.103729D+01 -0.333092D+00
      2   0.449012D+01 -0.109745D+02  0.179838D+00 -0.333092D+00  0.739220D+00
      3   0.110835D+00  0.179838D+00 -0.101871D+01  0.713102D+00 -0.111164D+01
                81            82            83            84            85 
      1   0.713102D+00  0.988367D+00  0.429818D+00 -0.728168D+00  0.115481D+01
      2  -0.111164D+01  0.429818D+00  0.233100D+00  0.532799D-01  0.551083D+00
      3   0.294502D-01 -0.728168D+00  0.532799D-01  0.913735D+00 -0.365693D+00
                86            87            88            89            90 
      1   0.551083D+00 -0.365693D+00 -0.224328D+01  0.419351D+00  0.208579D+01
      2  -0.355021D+00 -0.724544D+00  0.419351D+00 -0.123005D+01  0.330373D+00
      3  -0.724544D+00  0.143327D+01  0.208579D+01  0.330373D+00 -0.635065D+01
                91            92            93            94            95 
      1  -0.771554D+01  0.602927D+00 -0.249034D+01  0.297853D+01 -0.163893D+01
      2   0.602927D+00 -0.104264D+01  0.410178D+00 -0.163893D+01  0.171807D-01
      3  -0.249034D+01  0.410178D+00 -0.190190D+01  0.849175D+00 -0.671112D+00
                96            97            98            99           100 
      1   0.849175D+00 -0.416031D+01  0.137223D+00 -0.239501D+01 -0.129116D+01
      2  -0.671112D+00  0.137223D+00 -0.106204D+01  0.550562D+00 -0.130782D+01
      3   0.112659D+01 -0.239501D+01  0.550562D+00 -0.171602D+01 -0.449153D+00
               101           102           103           104           105 
      1  -0.130782D+01 -0.449153D+00 -0.375633D+01 -0.449048D+01  0.110489D+00
      2  -0.790552D+00 -0.184299D-01 -0.449048D+01 -0.109742D+02 -0.180929D+00
      3  -0.184299D-01 -0.110431D+00  0.110489D+00 -0.180929D+00 -0.101879D+01
               106           107           108           109           110 
      1  -0.103806D+01 -0.333878D+00 -0.713072D+00 -0.988028D+00  0.429725D+00
      2  -0.333878D+00 -0.740851D+00 -0.111176D+01  0.429725D+00 -0.233030D+00
      3  -0.713072D+00 -0.111176D+01 -0.298412D-01  0.728070D+00  0.534386D-01
               111           112           113           114           115 
      1   0.728070D+00  0.115443D+01 -0.551051D+00 -0.365418D+00  0.224318D+01
      2   0.534386D-01 -0.551051D+00 -0.355265D+00  0.724330D+00  0.419495D+00
      3  -0.913384D+00 -0.365418D+00  0.724330D+00  0.143255D+01 -0.208558D+01
               116           117 
      1   0.419495D+00 -0.208558D+01
      2   0.122980D+01  0.329722D+00
      3   0.329722D+00  0.635151D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.123917D+01  0.378973D+01 -0.785263D+00  0.120536D+00 -0.919697D+01
      2   0.199328D+01 -0.253370D+01  0.275618D+01  0.180887D+01 -0.289319D+01
      3   0.239705D+01 -0.789703D+01  0.244139D+01  0.127095D+01 -0.638956D-01
                 6             7             8             9            10 
      1   0.203156D+01 -0.522586D+01  0.791264D+01 -0.206367D+01  0.123882D+01
      2   0.253959D+01 -0.773005D+01  0.834253D+01 -0.554997D+01  0.199291D+01
      3   0.115173D+01  0.574258D+00 -0.394570D+00 -0.246110D+01 -0.239616D+01
                11            12            13            14            15 
      1   0.378951D+01  0.785492D+00  0.120157D+00  0.919637D+01  0.203166D+01
      2   0.253387D+01  0.275640D+01 -0.180861D+01 -0.289266D+01 -0.253953D+01
      3  -0.789705D+01 -0.244121D+01  0.127167D+01  0.646741D-01  0.115155D+01
                16            17            18            19            20 
      1   0.522604D+01  0.791258D+01  0.206383D+01  0.205692D-03 -0.797614D+01
      2  -0.773040D+01 -0.834237D+01 -0.555048D+01  0.449726D+01  0.883214D-04
      3  -0.574270D+00 -0.394921D+00  0.246075D+01 -0.204384D-03 -0.963518D+01
                21            22            23            24            25 
      1  -0.807129D-04 -0.426226D+01  0.364392D-04 -0.158431D+02  0.121491D-04
      2   0.727581D+01 -0.413259D-04  0.498126D+01  0.453983D-05 -0.968138D+01
      3  -0.125227D-03  0.188445D+02 -0.503280D-03  0.570501D+00 -0.247928D-03
                26            27            28            29            30 
      1   0.736299D+01  0.308378D-04 -0.169587D+01 -0.644436D+00 -0.202291D+01
      2  -0.743105D-04  0.364045D+00 -0.963376D+01 -0.108408D+00 -0.252423D+01
      3   0.365019D+01  0.142775D-04  0.931182D+01  0.159357D+01  0.373703D+01
                31            32            33            34            35 
      1  -0.505759D+00 -0.681510D+00 -0.348948D+01 -0.314356D+01  0.727694D+00
      2  -0.325027D+01  0.858670D+00 -0.618937D+01 -0.922342D+01 -0.309075D+01
      3   0.153641D+02 -0.175050D+02  0.157082D+01  0.425526D+01  0.195693D+01
                36            37            38            39            40 
      1   0.581585D+01  0.169556D+01 -0.644290D+00  0.202171D+01 -0.505158D+00
      2   0.970401D+01 -0.963233D+01  0.108963D+00 -0.252204D+01  0.324967D+01
      3   0.763874D+01 -0.931363D+01  0.159551D+01 -0.373769D+01  0.153668D+02
                41            42            43            44            45 
      1   0.683551D+00 -0.348818D+01  0.314194D+01  0.728469D+00 -0.581674D+01
      2   0.854096D+00  0.618773D+01 -0.922070D+01  0.308945D+01  0.970783D+01
      3   0.175026D+02  0.157540D+01 -0.425493D+01  0.196147D+01 -0.763576D+01
                46            47            48            49            50 
      1  -0.690198D+00  0.224052D+00 -0.358905D+00  0.517803D+00 -0.150152D+00
      2   0.176565D+01  0.127801D+01 -0.934005D-01  0.185722D+01  0.107880D+01
      3   0.497466D+00 -0.201290D-01 -0.550798D+00  0.195123D+01  0.129464D+01
                51            52            53            54            55 
      1  -0.233065D+01 -0.113977D+01  0.307276D+01  0.255461D+01  0.690159D+00
      2  -0.234922D+01 -0.300212D+01 -0.349401D+01  0.664176D+01  0.176572D+01
      3  -0.163897D+01 -0.128697D+01 -0.203809D+01  0.242880D+01 -0.497459D+00
                56            57            58            59            60 
      1   0.224075D+00  0.359034D+00  0.517853D+00  0.150277D+00 -0.233065D+01
      2  -0.127801D+01 -0.934608D-01 -0.185728D+01  0.107879D+01  0.234935D+01
      3  -0.200204D-01  0.550898D+00  0.195135D+01 -0.129464D+01 -0.163898D+01
                61            62            63            64            65 
      1   0.113975D+01  0.307274D+01 -0.255462D+01  0.198376D+01  0.713137D+00
      2  -0.300204D+01  0.349402D+01  0.664169D+01  0.490563D+01  0.100296D+01
      3   0.128692D+01 -0.203820D+01 -0.242877D+01 -0.981126D+01 -0.550824D+01
                66            67            68            69            70 
      1   0.131709D+01  0.877286D+00  0.532041D+00  0.601756D-01  0.116178D+01
      2   0.681130D+01  0.182134D+01  0.122121D+01  0.355313D+01  0.360796D+01
      3  -0.365090D+01 -0.492553D+01 -0.234320D+01 -0.249561D+01 -0.466882D+01
                71            72            73            74            75 
      1   0.183441D+01  0.849110D+00 -0.122485D+00 -0.167996D+00  0.937015D+00
      2   0.150008D+01  0.441599D+01  0.523954D+00 -0.174725D+00  0.163227D+01
      3  -0.348399D+01 -0.368361D+01  0.375821D+00 -0.209965D+01 -0.204214D+00
                76            77            78            79            80 
      1   0.773870D+00  0.370351D+00 -0.441377D+01  0.109519D+01 -0.579513D+00
      2   0.152763D+01 -0.111073D+01 -0.329877D+01  0.646715D+00 -0.182859D+01
      3  -0.306362D+01  0.216138D+02 -0.786334D+00 -0.538484D+00 -0.104363D+01
                81            82            83            84            85 
      1  -0.583748D+00 -0.910735D+00  0.734945D-01  0.106744D+01  0.308481D+00
      2  -0.584588D+00 -0.176442D+01  0.395880D+00  0.304199D+01  0.848409D+00
      3   0.820180D+00 -0.145481D+01 -0.114499D+01  0.877556D+00 -0.598267D+00
                86            87            88            89            90 
      1  -0.147184D+01  0.801442D+00  0.209662D+01  0.324475D+01 -0.672624D+01
      2  -0.164539D+01  0.329945D+01  0.112033D+01  0.137695D+01 -0.148478D+02
      3  -0.627057D+00  0.195174D+01  0.166224D+01  0.317830D+01 -0.396077D+01
                91            92            93            94            95 
      1  -0.198297D+01  0.713132D+00 -0.131642D+01  0.877216D+00 -0.532147D+00
      2   0.490445D+01 -0.100343D+01  0.681013D+01 -0.182152D+01  0.122173D+01
      3   0.981302D+01 -0.550931D+01  0.365087D+01 -0.492765D+01  0.234487D+01
                96            97            98            99           100 
      1   0.599505D-01 -0.116114D+01  0.183422D+01 -0.848353D+00  0.122448D+00
      2  -0.355364D+01  0.360688D+01 -0.150015D+01  0.441369D+01  0.524070D+00
      3  -0.249652D+01  0.466872D+01 -0.348422D+01  0.368318D+01 -0.375804D+00
               101           102           103           104           105 
      1  -0.168050D+00 -0.937144D+00  0.773381D+00 -0.371205D+00 -0.441394D+01
      2   0.174845D+00  0.163229D+01 -0.152710D+01 -0.110798D+01  0.329902D+01
      3  -0.210099D+01  0.204115D+00 -0.306455D+01 -0.216126D+02 -0.788654D+00
               106           107           108           109           110 
      1  -0.109489D+01 -0.579720D+00  0.582837D+00  0.910477D+00  0.737831D-01
      2   0.646012D+00  0.182848D+01 -0.583635D+00 -0.176447D+01 -0.396281D+00
      3   0.538213D+00 -0.104665D+01 -0.820613D+00  0.145416D+01 -0.114486D+01
               111           112           113           114           115 
      1  -0.106705D+01  0.308634D+00  0.147114D+01  0.800663D+00 -0.209613D+01
      2   0.304108D+01 -0.848317D+00 -0.164462D+01 -0.329775D+01  0.111943D+01
      3  -0.876985D+00 -0.598188D+00  0.626249D+00  0.195066D+01 -0.166189D+01
               116           117 
      1   0.324436D+01  0.672716D+01
      2  -0.137556D+01 -0.148499D+02
      3   0.317737D+01  0.395894D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.193507D+00 -0.581228D+01  0.354387D+01 -0.954924D+00  0.105972D+02
      2  -0.252823D+01  0.823803D+01 -0.572522D+01  0.394062D+01 -0.668767D+01
      3   0.272174D+01 -0.242575D+01  0.218136D+01 -0.298569D+01 -0.390949D+01
      4  -0.259287D+01 -0.212874D+00 -0.206481D+01 -0.104025D+01 -0.266839D+01
      5   0.541794D+01 -0.215771D+01 -0.471721D+00 -0.348096D+00 -0.284354D+01
      6  -0.172242D+01 -0.218117D+01  0.346240D+01  0.630913D+00  0.334525D+01
                 6             7             8             9            10 
      1  -0.629237D+01  0.262163D+01 -0.473602D+01  0.827898D+01 -0.191586D+00
      2   0.435851D+01 -0.276766D+01  0.229457D+01 -0.103823D+01 -0.253007D+01
      3   0.193385D+01  0.146032D+00  0.244146D+01 -0.724075D+01  0.272166D+01
      4   0.851511D+00 -0.101848D+01 -0.100201D+01 -0.272403D+01  0.259286D+01
      5   0.778546D+01  0.576955D+01  0.293459D+00 -0.650840D+01  0.541785D+01
      6  -0.909203D+01 -0.229027D+01 -0.532913D+00  0.707431D+01  0.172272D+01
                11            12            13            14            15 
      1   0.581332D+01  0.354432D+01  0.955723D+00  0.105995D+02  0.629274D+01
      2  -0.823840D+01 -0.572580D+01 -0.394087D+01 -0.668924D+01 -0.435861D+01
      3   0.242508D+01  0.218148D+01  0.298515D+01 -0.391023D+01 -0.193413D+01
      4  -0.212564D+00  0.206461D+01 -0.104013D+01  0.266876D+01  0.852212D+00
      5   0.215851D+01 -0.471396D+00  0.348803D+00 -0.284163D+01 -0.778505D+01
      6  -0.218077D+01 -0.346245D+01  0.631607D+00 -0.334501D+01 -0.909248D+01
                16            17            18            19            20 
      1   0.262151D+01  0.473556D+01  0.827793D+01  0.633568D+01 -0.258030D-03
      2  -0.276767D+01 -0.229415D+01 -0.103770D+01  0.686678D+01  0.129458D-03
      3   0.146159D+00 -0.244140D+01 -0.724023D+01 -0.132025D+02  0.128572D-03
      4   0.101851D+01 -0.100156D+01  0.272467D+01 -0.252127D-04  0.343541D+02
      5   0.576826D+01 -0.293231D+00 -0.650893D+01 -0.266503D+01 -0.167044D-03
      6   0.229052D+01 -0.532827D+00 -0.707487D+01 -0.149951D-03  0.790853D+01
                21            22            23            24            25 
      1  -0.674813D+01 -0.517362D-03 -0.535470D+02 -0.335557D-03 -0.262911D+01
      2   0.829592D+01  0.337783D-03  0.797616D+02  0.400748D-03  0.707363D+01
      3  -0.154780D+01  0.179578D-03 -0.262146D+02 -0.651904D-04 -0.444452D+01
      4   0.745453D-04  0.240557D+02 -0.838783D-04 -0.260025D+00 -0.278855D-04
      5   0.173019D+02 -0.433309D-03  0.431968D+01 -0.432411D-04  0.138971D+02
      6  -0.160662D-04  0.162923D+01 -0.382783D-04  0.322167D+02 -0.118978D-03
                26            27            28            29            30 
      1  -0.242545D-03 -0.215855D+02 -0.112180D+02 -0.120607D+02 -0.158986D+02
      2   0.255911D-03  0.230236D+01  0.945377D+01  0.977539D+01  0.943654D+01
      3  -0.133662D-04  0.192831D+02  0.176427D+01  0.228530D+01  0.646207D+01
      4   0.342150D+01 -0.217993D-03 -0.110058D+02 -0.143455D+01  0.732116D-01
      5  -0.363049D-03 -0.220090D+01 -0.190297D+02 -0.161587D+01 -0.832729D+01
      6   0.333625D+02  0.661556D-05  0.350007D+01 -0.143251D-01  0.176070D+01
                31            32            33            34            35 
      1  -0.177019D+02  0.484957D+01 -0.580683D+01 -0.197450D+02 -0.230439D+01
      2   0.182796D+02 -0.203536D+02  0.281418D+01  0.894293D+01  0.168467D+01
      3  -0.577702D+00  0.155040D+02  0.299265D+01  0.108021D+02  0.619717D+00
      4  -0.112152D+02  0.306514D+02 -0.242183D+01  0.500660D+00 -0.328068D+01
      5  -0.284103D+01 -0.295376D+01 -0.114197D+02 -0.116187D+02 -0.789568D+01
      6   0.881573D-01  0.160802D+01  0.261751D+01  0.142367D+01  0.414237D+01
                36            37            38            39            40 
      1  -0.869153D+01 -0.112216D+02  0.120625D+02 -0.158976D+02  0.177055D+02
      2   0.131525D+02  0.945543D+01 -0.977807D+01  0.943627D+01 -0.182824D+02
      3  -0.446093D+01  0.176618D+01 -0.228443D+01  0.646136D+01  0.576843D+00
      4  -0.691311D+01  0.110078D+02 -0.143811D+01 -0.715092D-01 -0.112198D+02
      5   0.178489D+02 -0.190278D+02  0.161628D+01 -0.832270D+01  0.284108D+01
      6  -0.653879D+01 -0.349953D+01 -0.146163D-01 -0.175968D+01  0.853970D-01
                41            42            43            44            45 
      1   0.484291D+01  0.581042D+01 -0.197434D+02  0.230740D+01 -0.868409D+01
      2  -0.203493D+02 -0.281985D+01  0.894078D+01 -0.169141D+01  0.131482D+02
      3   0.155064D+02 -0.299057D+01  0.108026D+02 -0.615984D+00 -0.446413D+01
      4  -0.306512D+02 -0.242873D+01 -0.500197D+00 -0.328823D+01  0.691028D+01
      5  -0.296196D+01  0.114156D+02 -0.116127D+02  0.789238D+01  0.178553D+02
      6  -0.161424D+01  0.261659D+01 -0.142339D+01  0.414100D+01  0.654241D+01
                46            47            48            49            50 
      1   0.124652D+01 -0.145919D+01  0.273913D+01 -0.113389D+01 -0.651868D+01
      2  -0.295262D+01  0.257726D+00 -0.240508D+00  0.118848D+01  0.230189D+01
      3   0.170610D+01  0.120146D+01 -0.249862D+01 -0.545942D-01  0.421679D+01
      4  -0.437820D+00  0.336843D+01 -0.215015D+01  0.309611D+01 -0.185341D+00
      5  -0.119623D-01 -0.180888D+01  0.534361D+01 -0.170147D+01  0.189723D+01
      6  -0.192235D+01 -0.192045D+01  0.113484D+01 -0.765926D+00 -0.585844D+01
                51            52            53            54            55 
      1   0.498558D+01  0.178744D+01  0.548672D+01 -0.173678D+02  0.124671D+01
      2  -0.502606D+00 -0.164162D+01  0.307859D+01 -0.100639D+02 -0.295258D+01
      3  -0.448298D+01 -0.145818D+00 -0.856531D+01  0.274318D+02  0.170588D+01
      4   0.220978D+00 -0.299879D+01  0.986478D+00  0.506645D+00  0.437756D+00
      5  -0.246445D+01  0.318093D+01 -0.303676D+01  0.791684D+01 -0.118593D-01
      6   0.108620D+02 -0.113348D+00  0.871144D+01 -0.145346D+02  0.192245D+01
                56            57            58            59            60 
      1   0.145930D+01  0.273930D+01  0.113397D+01 -0.651880D+01 -0.498571D+01
      2  -0.257860D+00 -0.240455D+00 -0.118883D+01  0.230173D+01  0.502651D+00
      3  -0.120144D+01 -0.249884D+01  0.548648D-01  0.421707D+01  0.448306D+01
      4   0.336840D+01  0.215023D+01  0.309591D+01  0.185114D+00  0.220889D+00
      5   0.180894D+01  0.534350D+01  0.170123D+01  0.189703D+01  0.246462D+01
      6  -0.192053D+01 -0.113495D+01 -0.765956D+00  0.585858D+01  0.108622D+02
                61            62            63            64            65 
      1   0.178730D+01 -0.548657D+01 -0.173676D+02  0.470440D+02  0.654968D+01
      2  -0.164137D+01 -0.307866D+01 -0.100641D+02 -0.282024D+02 -0.533014D+01
      3  -0.145924D+00  0.856524D+01  0.274317D+02 -0.188416D+02 -0.121954D+01
      4   0.299890D+01  0.986561D+00 -0.506822D+00  0.132171D+01  0.739800D+01
      5   0.318103D+01  0.303670D+01  0.791660D+01  0.172524D+02  0.235265D+01
      6   0.113219D+00  0.871146D+01  0.145348D+02 -0.179758D+01  0.102728D+00
                66            67            68            69            70 
      1   0.143922D+02  0.171429D+02  0.468801D+01  0.454361D+01  0.204988D+02
      2  -0.934699D+01 -0.112114D+02 -0.569129D+00 -0.358846D+01 -0.138246D+02
      3  -0.504523D+01 -0.593149D+01 -0.411889D+01 -0.955157D+00 -0.667419D+01
      4   0.112024D+01  0.933761D+01  0.254529D+01  0.392301D+01 -0.150954D+00
      5   0.136999D+02  0.583426D+01  0.375448D+01  0.677533D+01  0.162823D+02
      6  -0.257119D+01  0.487629D+00  0.877192D+00  0.730687D+00 -0.156464D+01
                71            72            73            74            75 
      1   0.163592D+01  0.959355D+01  0.612723D+01 -0.459368D+01  0.204839D+01
      2  -0.228546D+01 -0.103825D+02  0.507697D+00 -0.911019D+00 -0.110916D+01
      3   0.649542D+00  0.788946D+00 -0.663493D+01  0.550470D+01 -0.939233D+00
      4   0.522567D+01  0.210296D+01 -0.818184D+01  0.116305D+02  0.106959D+00
      5   0.286468D+01  0.115705D+02  0.162181D+01  0.232600D+00  0.271571D+01
      6   0.126201D+01 -0.633796D+00 -0.211008D+00 -0.181280D+00 -0.914910D+00
                76            77            78            79            80 
      1  -0.617831D+01 -0.125362D+02  0.112105D+01  0.343686D+01  0.298549D+00
      2  -0.647745D+01  0.373598D+02 -0.153613D+01 -0.173644D+01 -0.104380D+01
      3   0.126558D+02 -0.248236D+02  0.415085D+00 -0.170041D+01  0.745254D+00
      4   0.238473D+02 -0.455811D+02  0.968742D+00 -0.102853D+01  0.201970D+01
      5   0.800300D+00  0.911434D+00 -0.569853D+01  0.472000D+01 -0.476785D+01
      6  -0.580666D+00  0.555994D+00  0.731587D+01 -0.284274D+01  0.695016D+01
                81            82            83            84            85 
      1  -0.552696D+00  0.560839D+01  0.186493D+01 -0.334600D+01  0.549342D+01
      2   0.145831D+01 -0.560268D+01 -0.140869D+01  0.278494D+01 -0.440593D+01
      3  -0.905619D+00 -0.571336D-02 -0.456233D+00  0.561064D+00 -0.108749D+01
      4  -0.402051D+01  0.131846D+01  0.186294D+01  0.117310D+00  0.278381D+01
      5  -0.488866D+00 -0.383918D+01 -0.531770D+00  0.891304D+01 -0.214939D+01
      6  -0.294750D+00  0.279638D+00  0.240234D+00 -0.119530D+01 -0.596155D+00
                86            87            88            89            90 
      1  -0.833455D+00  0.695821D-01 -0.733790D+01  0.697133D-01 -0.817279D+00
      2   0.112138D+01  0.257278D+01  0.743826D+01  0.213687D+01 -0.146268D+02
      3  -0.287924D+00 -0.264236D+01 -0.100357D+00 -0.220659D+01  0.154441D+02
      4  -0.529366D+00 -0.333379D+01  0.269512D+01 -0.565995D+01  0.249522D+01
      5  -0.292617D+01  0.663599D+01  0.135547D+02  0.214161D+01 -0.291596D+02
      6  -0.662474D+00  0.198213D+01 -0.232317D+01  0.257515D+01  0.815699D+01
                91            92            93            94            95 
      1   0.470459D+02 -0.655308D+01  0.143898D+02 -0.171486D+02  0.469039D+01
      2  -0.282034D+02  0.533227D+01 -0.934548D+01  0.112147D+02 -0.570314D+00
      3  -0.188425D+02  0.122081D+01 -0.504429D+01  0.593384D+01 -0.412008D+01
      4  -0.132631D+01  0.739891D+01 -0.112166D+01  0.933969D+01 -0.254785D+01
      5   0.172486D+02 -0.235365D+01  0.136969D+02 -0.583487D+01  0.375530D+01
      6   0.179641D+01  0.102270D+00  0.257019D+01  0.487602D+00 -0.876683D+00
                96            97            98            99           100 
      1  -0.454482D+01  0.204954D+02 -0.163682D+01  0.959133D+01  0.612929D+01
      2   0.358942D+01 -0.138220D+02  0.228648D+01 -0.103802D+02  0.507075D+00
      3   0.955394D+00 -0.667341D+01 -0.649655D+00  0.788886D+00 -0.663637D+01
      4   0.392373D+01  0.149052D+00  0.522563D+01 -0.210403D+01  0.818408D+01
      5  -0.677610D+01  0.162787D+02 -0.286530D+01  0.115654D+02  0.162266D+01
      6   0.730441D+00  0.156332D+01  0.126185D+01  0.631981D+00  0.212036D+00
               101           102           103           104           105 
      1   0.459389D+01  0.204897D+01  0.617843D+01 -0.125325D+02 -0.112275D+01
      2   0.912326D+00 -0.110912D+01  0.647828D+01  0.373568D+02  0.153919D+01
      3  -0.550621D+01 -0.939853D+00 -0.126567D+02 -0.248243D+02 -0.416435D+00
      4   0.116331D+02 -0.105721D+00  0.238497D+02  0.455817D+02  0.973348D+00
      5  -0.231360D+00  0.271569D+01 -0.798026D+00  0.916610D+00  0.569931D+01
      6  -0.180789D+00  0.915269D+00 -0.578380D+00 -0.550134D+00  0.731586D+01
               106           107           108           109           110 
      1   0.343831D+01 -0.299987D+00 -0.553303D+00  0.560652D+01 -0.186447D+01
      2  -0.173652D+01  0.104743D+01  0.145881D+01 -0.560152D+01  0.140831D+01
      3  -0.170179D+01 -0.747439D+00 -0.905510D+00 -0.500121D-02  0.456156D+00
      4   0.103169D+01  0.202603D+01  0.402145D+01 -0.131797D+01  0.186277D+01
      5   0.471967D+01  0.476878D+01 -0.486955D+00 -0.383820D+01  0.530555D+00
      6   0.284303D+01  0.695039D+01  0.297203D+00 -0.280290D+00  0.240164D+00
               111           112           113           114           115 
      1  -0.334549D+01 -0.549188D+01 -0.833533D+00 -0.702590D-01 -0.733691D+01
      2   0.278400D+01  0.440483D+01  0.112144D+01 -0.257131D+01  0.743728D+01
      3   0.561491D+00  0.108705D+01 -0.287911D+00  0.264157D+01 -0.100373D+00
      4  -0.118665D+00  0.278383D+01  0.531030D+00 -0.333246D+01 -0.269696D+01
      5   0.891165D+01  0.214764D+01 -0.292471D+01 -0.663246D+01  0.135533D+02
      6   0.119511D+01 -0.595859D+00  0.662108D+00  0.198322D+01  0.232391D+01
               116           117 
      1  -0.699047D-01 -0.821116D+00
      2  -0.213545D+01 -0.146258D+02
      3   0.220535D+01  0.154470D+02
      4  -0.565914D+01 -0.249251D+01
      5  -0.213844D+01 -0.291623D+02
      6   0.257647D+01 -0.816083D+01
 Leave Link  716 at Thu Jul  8 22:17:01 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.776741D+02 -0.130128D-04  0.157588D+00
      2  -0.130128D-04  0.795790D+02  0.126078D-03
      3   0.157588D+00  0.126078D-03  0.610487D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.269193D+01  0.313430D-03 -0.985685D+00
      2   0.599206D-04  0.318360D+01 -0.599528D-04
      3   0.346221D+01 -0.236612D-03 -0.159391D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.288751D-03 -0.337288D+02  0.153521D-03
      2  -0.784983D-03  0.217769D+02 -0.213661D-02
      3   0.107373D-02  0.119519D+02  0.198309D-02
      4  -0.392494D+02 -0.117364D-02 -0.750870D+01
      5   0.279923D-03 -0.462462D+01  0.113463D-02
      6  -0.496382D+01 -0.255690D-02 -0.758379D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.404442D+01 -0.159172D+01  0.225455D+01 -0.265576D+01  0.710366D+01
      2  -0.159172D+01  0.218402D+01 -0.113379D+01  0.710366D+01 -0.917953D+01
      3   0.225455D+01 -0.113379D+01  0.235100D+01 -0.281339D+00  0.138393D+01
                 6             7             8             9            10 
      1  -0.281339D+00  0.458923D+01 -0.103035D+01  0.157758D+01 -0.404470D+01
      2   0.138393D+01 -0.103035D+01 -0.294565D+00  0.228672D+01 -0.159175D+01
      3  -0.130290D+00  0.157758D+01  0.228672D+01 -0.629576D+01 -0.225460D+01
                11            12            13            14            15 
      1  -0.159175D+01 -0.225460D+01 -0.265601D+01 -0.710387D+01 -0.281492D+00
      2  -0.218406D+01 -0.113386D+01 -0.710387D+01 -0.917958D+01 -0.138418D+01
      3  -0.113386D+01 -0.235098D+01 -0.281492D+00 -0.138418D+01 -0.130353D+00
                16            17            18            19            20 
      1  -0.458928D+01 -0.103026D+01 -0.157753D+01  0.000000D+00  0.873099D+01
      2  -0.103026D+01  0.294369D+00  0.228669D+01  0.873099D+01 -0.385794D-04
      3  -0.157753D+01  0.228669D+01  0.629583D+01  0.444386D-04  0.171338D+01
                21            22            23            24            25 
      1   0.444386D-04  0.774268D+01  0.715025D-04  0.782705D+00  0.934080D-04
      2   0.171338D+01  0.715025D-04  0.233712D+02  0.108214D-03  0.322823D+01
      3  -0.591175D-04  0.782705D+00  0.108214D-03  0.497261D+01 -0.128902D-05
                26            27            28            29            30 
      1   0.322823D+01 -0.128902D-05 -0.215307D+01 -0.153408D+01 -0.310586D+01
      2   0.889174D-04  0.619538D+01 -0.153408D+01 -0.116713D+01 -0.356332D+00
      3   0.619538D+01  0.793274D-04 -0.310586D+01 -0.356332D+00 -0.148315D+01
                31            32            33            34            35 
      1  -0.843394D+00 -0.485882D+01 -0.534498D+00 -0.391056D+01 -0.362727D+00
      2  -0.485882D+01  0.920742D+01 -0.235696D+00 -0.362727D+00 -0.103690D+01
      3  -0.534498D+00 -0.235696D+00 -0.243051D+01 -0.219836D+01 -0.187652D+01
                36            37            38            39            40 
      1  -0.219836D+01  0.215382D+01 -0.153400D+01  0.310568D+01 -0.843811D+00
      2  -0.187652D+01 -0.153400D+01  0.116813D+01 -0.356425D+00  0.485970D+01
      3   0.446696D+01  0.310568D+01 -0.356425D+00  0.148233D+01 -0.534524D+00
                41            42            43            44            45 
      1   0.485970D+01 -0.534524D+00  0.391061D+01 -0.362212D+00  0.219751D+01
      2   0.920684D+01  0.237372D+00 -0.362212D+00  0.103908D+01 -0.187583D+01
      3   0.237372D+00 -0.242977D+01  0.219751D+01 -0.187583D+01 -0.446841D+01
                46            47            48            49            50 
      1   0.220585D+00 -0.964576D+00  0.947798D+00 -0.748192D+00 -0.133179D-01
      2  -0.964576D+00 -0.198883D+00  0.188413D+00 -0.133179D-01 -0.400652D+00
      3   0.947798D+00  0.188413D+00 -0.940859D+00 -0.169655D+00  0.126308D+01
                51            52            53            54            55 
      1  -0.169655D+00  0.147745D+01 -0.444433D+00  0.125293D+00 -0.220574D+00
      2   0.126308D+01 -0.444433D+00  0.296290D+01 -0.327709D+01 -0.964566D+00
      3  -0.146648D+01  0.125293D+00 -0.327709D+01  0.763765D+01 -0.947844D+00
                56            57            58            59            60 
      1  -0.964566D+00 -0.947844D+00 -0.748216D+00  0.133063D-01 -0.169619D+00
      2   0.198921D+00  0.188442D+00  0.133063D-01 -0.400668D+00 -0.126310D+01
      3   0.188442D+00  0.940929D+00 -0.169619D+00 -0.126310D+01 -0.146659D+01
                61            62            63            64            65 
      1  -0.147740D+01 -0.444439D+00 -0.125257D+00  0.771526D+01  0.602482D+00
      2  -0.444439D+00 -0.296295D+01 -0.327710D+01  0.602482D+00  0.104230D+01
      3  -0.125257D+00 -0.327710D+01 -0.763767D+01  0.249081D+01  0.410017D+00
                66            67            68            69            70 
      1   0.249081D+01  0.297755D+01  0.163853D+01  0.849034D+00  0.416105D+01
      2   0.410017D+00  0.163853D+01  0.167545D-01  0.670911D+00  0.137093D+00
      3   0.190238D+01  0.849034D+00  0.670911D+00  0.112648D+01  0.239553D+01
                71            72            73            74            75 
      1   0.137093D+00  0.239553D+01  0.129062D+01 -0.130744D+01  0.449009D+00
      2   0.106189D+01  0.550490D+00 -0.130744D+01  0.789869D+00 -0.183163D-01
      3   0.550490D+00  0.171686D+01  0.449009D+00 -0.183163D-01  0.110390D+00
                76            77            78            79            80 
      1  -0.375629D+01  0.449012D+01  0.110835D+00  0.103729D+01 -0.333092D+00
      2   0.449012D+01 -0.109745D+02  0.179838D+00 -0.333092D+00  0.739220D+00
      3   0.110835D+00  0.179838D+00 -0.101871D+01  0.713102D+00 -0.111164D+01
                81            82            83            84            85 
      1   0.713102D+00  0.988367D+00  0.429818D+00 -0.728168D+00  0.115481D+01
      2  -0.111164D+01  0.429818D+00  0.233100D+00  0.532799D-01  0.551083D+00
      3   0.294502D-01 -0.728168D+00  0.532799D-01  0.913735D+00 -0.365693D+00
                86            87            88            89            90 
      1   0.551083D+00 -0.365693D+00 -0.224328D+01  0.419351D+00  0.208579D+01
      2  -0.355021D+00 -0.724544D+00  0.419351D+00 -0.123005D+01  0.330373D+00
      3  -0.724544D+00  0.143327D+01  0.208579D+01  0.330373D+00 -0.635065D+01
                91            92            93            94            95 
      1  -0.771554D+01  0.602927D+00 -0.249034D+01  0.297853D+01 -0.163893D+01
      2   0.602927D+00 -0.104264D+01  0.410178D+00 -0.163893D+01  0.171807D-01
      3  -0.249034D+01  0.410178D+00 -0.190190D+01  0.849175D+00 -0.671112D+00
                96            97            98            99           100 
      1   0.849175D+00 -0.416031D+01  0.137223D+00 -0.239501D+01 -0.129116D+01
      2  -0.671112D+00  0.137223D+00 -0.106204D+01  0.550562D+00 -0.130782D+01
      3   0.112659D+01 -0.239501D+01  0.550562D+00 -0.171602D+01 -0.449153D+00
               101           102           103           104           105 
      1  -0.130782D+01 -0.449153D+00 -0.375633D+01 -0.449048D+01  0.110489D+00
      2  -0.790552D+00 -0.184299D-01 -0.449048D+01 -0.109742D+02 -0.180929D+00
      3  -0.184299D-01 -0.110431D+00  0.110489D+00 -0.180929D+00 -0.101879D+01
               106           107           108           109           110 
      1  -0.103806D+01 -0.333878D+00 -0.713072D+00 -0.988028D+00  0.429725D+00
      2  -0.333878D+00 -0.740851D+00 -0.111176D+01  0.429725D+00 -0.233030D+00
      3  -0.713072D+00 -0.111176D+01 -0.298412D-01  0.728070D+00  0.534386D-01
               111           112           113           114           115 
      1   0.728070D+00  0.115443D+01 -0.551051D+00 -0.365418D+00  0.224318D+01
      2   0.534386D-01 -0.551051D+00 -0.355265D+00  0.724330D+00  0.419495D+00
      3  -0.913384D+00 -0.365418D+00  0.724330D+00  0.143255D+01 -0.208558D+01
               116           117 
      1   0.419495D+00 -0.208558D+01
      2   0.122980D+01  0.329722D+00
      3   0.329722D+00  0.635151D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.123917D+01  0.378973D+01 -0.785263D+00  0.120536D+00 -0.919697D+01
      2   0.199328D+01 -0.253370D+01  0.275618D+01  0.180887D+01 -0.289319D+01
      3   0.239705D+01 -0.789703D+01  0.244139D+01  0.127095D+01 -0.638956D-01
                 6             7             8             9            10 
      1   0.203156D+01 -0.522586D+01  0.791264D+01 -0.206367D+01  0.123882D+01
      2   0.253959D+01 -0.773005D+01  0.834253D+01 -0.554997D+01  0.199291D+01
      3   0.115173D+01  0.574258D+00 -0.394570D+00 -0.246110D+01 -0.239616D+01
                11            12            13            14            15 
      1   0.378951D+01  0.785492D+00  0.120157D+00  0.919637D+01  0.203166D+01
      2   0.253387D+01  0.275640D+01 -0.180861D+01 -0.289266D+01 -0.253953D+01
      3  -0.789705D+01 -0.244121D+01  0.127167D+01  0.646741D-01  0.115155D+01
                16            17            18            19            20 
      1   0.522604D+01  0.791258D+01  0.206383D+01  0.205692D-03 -0.797614D+01
      2  -0.773040D+01 -0.834237D+01 -0.555048D+01  0.449726D+01  0.883214D-04
      3  -0.574270D+00 -0.394921D+00  0.246075D+01 -0.204384D-03 -0.963518D+01
                21            22            23            24            25 
      1  -0.807129D-04 -0.426226D+01  0.364392D-04 -0.158431D+02  0.121491D-04
      2   0.727581D+01 -0.413259D-04  0.498126D+01  0.453983D-05 -0.968138D+01
      3  -0.125227D-03  0.188445D+02 -0.503280D-03  0.570501D+00 -0.247928D-03
                26            27            28            29            30 
      1   0.736299D+01  0.308378D-04 -0.169587D+01 -0.644436D+00 -0.202291D+01
      2  -0.743105D-04  0.364045D+00 -0.963376D+01 -0.108408D+00 -0.252423D+01
      3   0.365019D+01  0.142775D-04  0.931182D+01  0.159357D+01  0.373703D+01
                31            32            33            34            35 
      1  -0.505759D+00 -0.681510D+00 -0.348948D+01 -0.314356D+01  0.727694D+00
      2  -0.325027D+01  0.858670D+00 -0.618937D+01 -0.922342D+01 -0.309075D+01
      3   0.153641D+02 -0.175050D+02  0.157082D+01  0.425526D+01  0.195693D+01
                36            37            38            39            40 
      1   0.581585D+01  0.169556D+01 -0.644290D+00  0.202171D+01 -0.505158D+00
      2   0.970401D+01 -0.963233D+01  0.108963D+00 -0.252204D+01  0.324967D+01
      3   0.763874D+01 -0.931363D+01  0.159551D+01 -0.373769D+01  0.153668D+02
                41            42            43            44            45 
      1   0.683551D+00 -0.348818D+01  0.314194D+01  0.728469D+00 -0.581674D+01
      2   0.854096D+00  0.618773D+01 -0.922070D+01  0.308945D+01  0.970783D+01
      3   0.175026D+02  0.157540D+01 -0.425493D+01  0.196147D+01 -0.763576D+01
                46            47            48            49            50 
      1  -0.690198D+00  0.224052D+00 -0.358905D+00  0.517803D+00 -0.150152D+00
      2   0.176565D+01  0.127801D+01 -0.934005D-01  0.185722D+01  0.107880D+01
      3   0.497466D+00 -0.201290D-01 -0.550798D+00  0.195123D+01  0.129464D+01
                51            52            53            54            55 
      1  -0.233065D+01 -0.113977D+01  0.307276D+01  0.255461D+01  0.690159D+00
      2  -0.234922D+01 -0.300212D+01 -0.349401D+01  0.664176D+01  0.176572D+01
      3  -0.163897D+01 -0.128697D+01 -0.203809D+01  0.242880D+01 -0.497459D+00
                56            57            58            59            60 
      1   0.224075D+00  0.359034D+00  0.517853D+00  0.150277D+00 -0.233065D+01
      2  -0.127801D+01 -0.934608D-01 -0.185728D+01  0.107879D+01  0.234935D+01
      3  -0.200204D-01  0.550898D+00  0.195135D+01 -0.129464D+01 -0.163898D+01
                61            62            63            64            65 
      1   0.113975D+01  0.307274D+01 -0.255462D+01  0.198376D+01  0.713137D+00
      2  -0.300204D+01  0.349402D+01  0.664169D+01  0.490563D+01  0.100296D+01
      3   0.128692D+01 -0.203820D+01 -0.242877D+01 -0.981126D+01 -0.550824D+01
                66            67            68            69            70 
      1   0.131709D+01  0.877286D+00  0.532041D+00  0.601756D-01  0.116178D+01
      2   0.681130D+01  0.182134D+01  0.122121D+01  0.355313D+01  0.360796D+01
      3  -0.365090D+01 -0.492553D+01 -0.234320D+01 -0.249561D+01 -0.466882D+01
                71            72            73            74            75 
      1   0.183441D+01  0.849110D+00 -0.122485D+00 -0.167996D+00  0.937015D+00
      2   0.150008D+01  0.441599D+01  0.523954D+00 -0.174725D+00  0.163227D+01
      3  -0.348399D+01 -0.368361D+01  0.375821D+00 -0.209965D+01 -0.204214D+00
                76            77            78            79            80 
      1   0.773870D+00  0.370351D+00 -0.441377D+01  0.109519D+01 -0.579513D+00
      2   0.152763D+01 -0.111073D+01 -0.329877D+01  0.646715D+00 -0.182859D+01
      3  -0.306362D+01  0.216138D+02 -0.786334D+00 -0.538484D+00 -0.104363D+01
                81            82            83            84            85 
      1  -0.583748D+00 -0.910735D+00  0.734945D-01  0.106744D+01  0.308481D+00
      2  -0.584588D+00 -0.176442D+01  0.395880D+00  0.304199D+01  0.848409D+00
      3   0.820180D+00 -0.145481D+01 -0.114499D+01  0.877556D+00 -0.598267D+00
                86            87            88            89            90 
      1  -0.147184D+01  0.801442D+00  0.209662D+01  0.324475D+01 -0.672624D+01
      2  -0.164539D+01  0.329945D+01  0.112033D+01  0.137695D+01 -0.148478D+02
      3  -0.627057D+00  0.195174D+01  0.166224D+01  0.317830D+01 -0.396077D+01
                91            92            93            94            95 
      1  -0.198297D+01  0.713132D+00 -0.131642D+01  0.877216D+00 -0.532147D+00
      2   0.490445D+01 -0.100343D+01  0.681013D+01 -0.182152D+01  0.122173D+01
      3   0.981302D+01 -0.550931D+01  0.365087D+01 -0.492765D+01  0.234487D+01
                96            97            98            99           100 
      1   0.599505D-01 -0.116114D+01  0.183422D+01 -0.848353D+00  0.122448D+00
      2  -0.355364D+01  0.360688D+01 -0.150015D+01  0.441369D+01  0.524070D+00
      3  -0.249652D+01  0.466872D+01 -0.348422D+01  0.368318D+01 -0.375804D+00
               101           102           103           104           105 
      1  -0.168050D+00 -0.937144D+00  0.773381D+00 -0.371205D+00 -0.441394D+01
      2   0.174845D+00  0.163229D+01 -0.152710D+01 -0.110798D+01  0.329902D+01
      3  -0.210099D+01  0.204115D+00 -0.306455D+01 -0.216126D+02 -0.788654D+00
               106           107           108           109           110 
      1  -0.109489D+01 -0.579720D+00  0.582837D+00  0.910477D+00  0.737831D-01
      2   0.646012D+00  0.182848D+01 -0.583635D+00 -0.176447D+01 -0.396281D+00
      3   0.538213D+00 -0.104665D+01 -0.820613D+00  0.145416D+01 -0.114486D+01
               111           112           113           114           115 
      1  -0.106705D+01  0.308634D+00  0.147114D+01  0.800663D+00 -0.209613D+01
      2   0.304108D+01 -0.848317D+00 -0.164462D+01 -0.329775D+01  0.111943D+01
      3  -0.876985D+00 -0.598188D+00  0.626249D+00  0.195066D+01 -0.166189D+01
               116           117 
      1   0.324436D+01  0.672716D+01
      2  -0.137556D+01 -0.148499D+02
      3   0.317737D+01  0.395894D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.193507D+00 -0.581228D+01  0.354387D+01 -0.954924D+00  0.105972D+02
      2  -0.252823D+01  0.823803D+01 -0.572522D+01  0.394062D+01 -0.668767D+01
      3   0.272174D+01 -0.242575D+01  0.218136D+01 -0.298569D+01 -0.390949D+01
      4  -0.259287D+01 -0.212874D+00 -0.206481D+01 -0.104025D+01 -0.266839D+01
      5   0.541794D+01 -0.215771D+01 -0.471721D+00 -0.348096D+00 -0.284354D+01
      6  -0.172242D+01 -0.218117D+01  0.346240D+01  0.630913D+00  0.334525D+01
                 6             7             8             9            10 
      1  -0.629237D+01  0.262163D+01 -0.473602D+01  0.827898D+01 -0.191586D+00
      2   0.435851D+01 -0.276766D+01  0.229457D+01 -0.103823D+01 -0.253007D+01
      3   0.193385D+01  0.146032D+00  0.244146D+01 -0.724075D+01  0.272166D+01
      4   0.851511D+00 -0.101848D+01 -0.100201D+01 -0.272403D+01  0.259286D+01
      5   0.778546D+01  0.576955D+01  0.293459D+00 -0.650840D+01  0.541785D+01
      6  -0.909203D+01 -0.229027D+01 -0.532913D+00  0.707431D+01  0.172272D+01
                11            12            13            14            15 
      1   0.581332D+01  0.354432D+01  0.955723D+00  0.105995D+02  0.629274D+01
      2  -0.823840D+01 -0.572580D+01 -0.394087D+01 -0.668924D+01 -0.435861D+01
      3   0.242508D+01  0.218148D+01  0.298515D+01 -0.391023D+01 -0.193413D+01
      4  -0.212564D+00  0.206461D+01 -0.104013D+01  0.266876D+01  0.852212D+00
      5   0.215851D+01 -0.471396D+00  0.348803D+00 -0.284163D+01 -0.778505D+01
      6  -0.218077D+01 -0.346245D+01  0.631607D+00 -0.334501D+01 -0.909248D+01
                16            17            18            19            20 
      1   0.262151D+01  0.473556D+01  0.827793D+01  0.633568D+01 -0.258030D-03
      2  -0.276767D+01 -0.229415D+01 -0.103770D+01  0.686678D+01  0.129458D-03
      3   0.146159D+00 -0.244140D+01 -0.724023D+01 -0.132025D+02  0.128572D-03
      4   0.101851D+01 -0.100156D+01  0.272467D+01 -0.252127D-04  0.343541D+02
      5   0.576826D+01 -0.293231D+00 -0.650893D+01 -0.266503D+01 -0.167044D-03
      6   0.229052D+01 -0.532827D+00 -0.707487D+01 -0.149951D-03  0.790853D+01
                21            22            23            24            25 
      1  -0.674813D+01 -0.517362D-03 -0.535470D+02 -0.335557D-03 -0.262911D+01
      2   0.829592D+01  0.337783D-03  0.797616D+02  0.400748D-03  0.707363D+01
      3  -0.154780D+01  0.179578D-03 -0.262146D+02 -0.651904D-04 -0.444452D+01
      4   0.745453D-04  0.240557D+02 -0.838783D-04 -0.260025D+00 -0.278855D-04
      5   0.173019D+02 -0.433309D-03  0.431968D+01 -0.432411D-04  0.138971D+02
      6  -0.160662D-04  0.162923D+01 -0.382783D-04  0.322167D+02 -0.118978D-03
                26            27            28            29            30 
      1  -0.242545D-03 -0.215855D+02 -0.112180D+02 -0.120607D+02 -0.158986D+02
      2   0.255911D-03  0.230236D+01  0.945377D+01  0.977539D+01  0.943654D+01
      3  -0.133662D-04  0.192831D+02  0.176427D+01  0.228530D+01  0.646207D+01
      4   0.342150D+01 -0.217993D-03 -0.110058D+02 -0.143455D+01  0.732116D-01
      5  -0.363049D-03 -0.220090D+01 -0.190297D+02 -0.161587D+01 -0.832729D+01
      6   0.333625D+02  0.661556D-05  0.350007D+01 -0.143251D-01  0.176070D+01
                31            32            33            34            35 
      1  -0.177019D+02  0.484957D+01 -0.580683D+01 -0.197450D+02 -0.230439D+01
      2   0.182796D+02 -0.203536D+02  0.281418D+01  0.894293D+01  0.168467D+01
      3  -0.577702D+00  0.155040D+02  0.299265D+01  0.108021D+02  0.619717D+00
      4  -0.112152D+02  0.306514D+02 -0.242183D+01  0.500660D+00 -0.328068D+01
      5  -0.284103D+01 -0.295376D+01 -0.114197D+02 -0.116187D+02 -0.789568D+01
      6   0.881573D-01  0.160802D+01  0.261751D+01  0.142367D+01  0.414237D+01
                36            37            38            39            40 
      1  -0.869153D+01 -0.112216D+02  0.120625D+02 -0.158976D+02  0.177055D+02
      2   0.131525D+02  0.945543D+01 -0.977807D+01  0.943627D+01 -0.182824D+02
      3  -0.446093D+01  0.176618D+01 -0.228443D+01  0.646136D+01  0.576843D+00
      4  -0.691311D+01  0.110078D+02 -0.143811D+01 -0.715092D-01 -0.112198D+02
      5   0.178489D+02 -0.190278D+02  0.161628D+01 -0.832270D+01  0.284108D+01
      6  -0.653879D+01 -0.349953D+01 -0.146163D-01 -0.175968D+01  0.853970D-01
                41            42            43            44            45 
      1   0.484291D+01  0.581042D+01 -0.197434D+02  0.230740D+01 -0.868409D+01
      2  -0.203493D+02 -0.281985D+01  0.894078D+01 -0.169141D+01  0.131482D+02
      3   0.155064D+02 -0.299057D+01  0.108026D+02 -0.615984D+00 -0.446413D+01
      4  -0.306512D+02 -0.242873D+01 -0.500197D+00 -0.328823D+01  0.691028D+01
      5  -0.296196D+01  0.114156D+02 -0.116127D+02  0.789238D+01  0.178553D+02
      6  -0.161424D+01  0.261659D+01 -0.142339D+01  0.414100D+01  0.654241D+01
                46            47            48            49            50 
      1   0.124652D+01 -0.145919D+01  0.273913D+01 -0.113389D+01 -0.651868D+01
      2  -0.295262D+01  0.257726D+00 -0.240508D+00  0.118848D+01  0.230189D+01
      3   0.170610D+01  0.120146D+01 -0.249862D+01 -0.545942D-01  0.421679D+01
      4  -0.437820D+00  0.336843D+01 -0.215015D+01  0.309611D+01 -0.185341D+00
      5  -0.119623D-01 -0.180888D+01  0.534361D+01 -0.170147D+01  0.189723D+01
      6  -0.192235D+01 -0.192045D+01  0.113484D+01 -0.765926D+00 -0.585844D+01
                51            52            53            54            55 
      1   0.498558D+01  0.178744D+01  0.548672D+01 -0.173678D+02  0.124671D+01
      2  -0.502606D+00 -0.164162D+01  0.307859D+01 -0.100639D+02 -0.295258D+01
      3  -0.448298D+01 -0.145818D+00 -0.856531D+01  0.274318D+02  0.170588D+01
      4   0.220978D+00 -0.299879D+01  0.986478D+00  0.506645D+00  0.437756D+00
      5  -0.246445D+01  0.318093D+01 -0.303676D+01  0.791684D+01 -0.118593D-01
      6   0.108620D+02 -0.113348D+00  0.871144D+01 -0.145346D+02  0.192245D+01
                56            57            58            59            60 
      1   0.145930D+01  0.273930D+01  0.113397D+01 -0.651880D+01 -0.498571D+01
      2  -0.257860D+00 -0.240455D+00 -0.118883D+01  0.230173D+01  0.502651D+00
      3  -0.120144D+01 -0.249884D+01  0.548648D-01  0.421707D+01  0.448306D+01
      4   0.336840D+01  0.215023D+01  0.309591D+01  0.185114D+00  0.220889D+00
      5   0.180894D+01  0.534350D+01  0.170123D+01  0.189703D+01  0.246462D+01
      6  -0.192053D+01 -0.113495D+01 -0.765956D+00  0.585858D+01  0.108622D+02
                61            62            63            64            65 
      1   0.178730D+01 -0.548657D+01 -0.173676D+02  0.470440D+02  0.654968D+01
      2  -0.164137D+01 -0.307866D+01 -0.100641D+02 -0.282024D+02 -0.533014D+01
      3  -0.145924D+00  0.856524D+01  0.274317D+02 -0.188416D+02 -0.121954D+01
      4   0.299890D+01  0.986561D+00 -0.506822D+00  0.132171D+01  0.739800D+01
      5   0.318103D+01  0.303670D+01  0.791660D+01  0.172524D+02  0.235265D+01
      6   0.113219D+00  0.871146D+01  0.145348D+02 -0.179758D+01  0.102728D+00
                66            67            68            69            70 
      1   0.143922D+02  0.171429D+02  0.468801D+01  0.454361D+01  0.204988D+02
      2  -0.934699D+01 -0.112114D+02 -0.569129D+00 -0.358846D+01 -0.138246D+02
      3  -0.504523D+01 -0.593149D+01 -0.411889D+01 -0.955157D+00 -0.667419D+01
      4   0.112024D+01  0.933761D+01  0.254529D+01  0.392301D+01 -0.150954D+00
      5   0.136999D+02  0.583426D+01  0.375448D+01  0.677533D+01  0.162823D+02
      6  -0.257119D+01  0.487629D+00  0.877192D+00  0.730687D+00 -0.156464D+01
                71            72            73            74            75 
      1   0.163592D+01  0.959355D+01  0.612723D+01 -0.459368D+01  0.204839D+01
      2  -0.228546D+01 -0.103825D+02  0.507697D+00 -0.911019D+00 -0.110916D+01
      3   0.649542D+00  0.788946D+00 -0.663493D+01  0.550470D+01 -0.939233D+00
      4   0.522567D+01  0.210296D+01 -0.818184D+01  0.116305D+02  0.106959D+00
      5   0.286468D+01  0.115705D+02  0.162181D+01  0.232600D+00  0.271571D+01
      6   0.126201D+01 -0.633796D+00 -0.211008D+00 -0.181280D+00 -0.914910D+00
                76            77            78            79            80 
      1  -0.617831D+01 -0.125362D+02  0.112105D+01  0.343686D+01  0.298549D+00
      2  -0.647745D+01  0.373598D+02 -0.153613D+01 -0.173644D+01 -0.104380D+01
      3   0.126558D+02 -0.248236D+02  0.415085D+00 -0.170041D+01  0.745254D+00
      4   0.238473D+02 -0.455811D+02  0.968742D+00 -0.102853D+01  0.201970D+01
      5   0.800300D+00  0.911434D+00 -0.569853D+01  0.472000D+01 -0.476785D+01
      6  -0.580666D+00  0.555994D+00  0.731587D+01 -0.284274D+01  0.695016D+01
                81            82            83            84            85 
      1  -0.552696D+00  0.560839D+01  0.186493D+01 -0.334600D+01  0.549342D+01
      2   0.145831D+01 -0.560268D+01 -0.140869D+01  0.278494D+01 -0.440593D+01
      3  -0.905619D+00 -0.571336D-02 -0.456233D+00  0.561064D+00 -0.108749D+01
      4  -0.402051D+01  0.131846D+01  0.186294D+01  0.117310D+00  0.278381D+01
      5  -0.488866D+00 -0.383918D+01 -0.531770D+00  0.891304D+01 -0.214939D+01
      6  -0.294750D+00  0.279638D+00  0.240234D+00 -0.119530D+01 -0.596155D+00
                86            87            88            89            90 
      1  -0.833455D+00  0.695821D-01 -0.733790D+01  0.697133D-01 -0.817279D+00
      2   0.112138D+01  0.257278D+01  0.743826D+01  0.213687D+01 -0.146268D+02
      3  -0.287924D+00 -0.264236D+01 -0.100357D+00 -0.220659D+01  0.154441D+02
      4  -0.529366D+00 -0.333379D+01  0.269512D+01 -0.565995D+01  0.249522D+01
      5  -0.292617D+01  0.663599D+01  0.135547D+02  0.214161D+01 -0.291596D+02
      6  -0.662474D+00  0.198213D+01 -0.232317D+01  0.257515D+01  0.815699D+01
                91            92            93            94            95 
      1   0.470459D+02 -0.655308D+01  0.143898D+02 -0.171486D+02  0.469039D+01
      2  -0.282034D+02  0.533227D+01 -0.934548D+01  0.112147D+02 -0.570314D+00
      3  -0.188425D+02  0.122081D+01 -0.504429D+01  0.593384D+01 -0.412008D+01
      4  -0.132631D+01  0.739891D+01 -0.112166D+01  0.933969D+01 -0.254785D+01
      5   0.172486D+02 -0.235365D+01  0.136969D+02 -0.583487D+01  0.375530D+01
      6   0.179641D+01  0.102270D+00  0.257019D+01  0.487602D+00 -0.876683D+00
                96            97            98            99           100 
      1  -0.454482D+01  0.204954D+02 -0.163682D+01  0.959133D+01  0.612929D+01
      2   0.358942D+01 -0.138220D+02  0.228648D+01 -0.103802D+02  0.507075D+00
      3   0.955394D+00 -0.667341D+01 -0.649655D+00  0.788886D+00 -0.663637D+01
      4   0.392373D+01  0.149052D+00  0.522563D+01 -0.210403D+01  0.818408D+01
      5  -0.677610D+01  0.162787D+02 -0.286530D+01  0.115654D+02  0.162266D+01
      6   0.730441D+00  0.156332D+01  0.126185D+01  0.631981D+00  0.212036D+00
               101           102           103           104           105 
      1   0.459389D+01  0.204897D+01  0.617843D+01 -0.125325D+02 -0.112275D+01
      2   0.912326D+00 -0.110912D+01  0.647828D+01  0.373568D+02  0.153919D+01
      3  -0.550621D+01 -0.939853D+00 -0.126567D+02 -0.248243D+02 -0.416435D+00
      4   0.116331D+02 -0.105721D+00  0.238497D+02  0.455817D+02  0.973348D+00
      5  -0.231360D+00  0.271569D+01 -0.798026D+00  0.916610D+00  0.569931D+01
      6  -0.180789D+00  0.915269D+00 -0.578380D+00 -0.550134D+00  0.731586D+01
               106           107           108           109           110 
      1   0.343831D+01 -0.299987D+00 -0.553303D+00  0.560652D+01 -0.186447D+01
      2  -0.173652D+01  0.104743D+01  0.145881D+01 -0.560152D+01  0.140831D+01
      3  -0.170179D+01 -0.747439D+00 -0.905510D+00 -0.500121D-02  0.456156D+00
      4   0.103169D+01  0.202603D+01  0.402145D+01 -0.131797D+01  0.186277D+01
      5   0.471967D+01  0.476878D+01 -0.486955D+00 -0.383820D+01  0.530555D+00
      6   0.284303D+01  0.695039D+01  0.297203D+00 -0.280290D+00  0.240164D+00
               111           112           113           114           115 
      1  -0.334549D+01 -0.549188D+01 -0.833533D+00 -0.702590D-01 -0.733691D+01
      2   0.278400D+01  0.440483D+01  0.112144D+01 -0.257131D+01  0.743728D+01
      3   0.561491D+00  0.108705D+01 -0.287911D+00  0.264157D+01 -0.100373D+00
      4  -0.118665D+00  0.278383D+01  0.531030D+00 -0.333246D+01 -0.269696D+01
      5   0.891165D+01  0.214764D+01 -0.292471D+01 -0.663246D+01  0.135533D+02
      6   0.119511D+01 -0.595859D+00  0.662108D+00  0.198322D+01  0.232391D+01
               116           117 
      1  -0.699047D-01 -0.821116D+00
      2  -0.213545D+01 -0.146258D+02
      3   0.220535D+01  0.154470D+02
      4  -0.565914D+01 -0.249251D+01
      5  -0.213844D+01 -0.291623D+02
      6   0.257647D+01 -0.816083D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.857373D+00      0.217922D+01      0.726911D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y         -0.857373D+00     -0.217922D+01     -0.726911D+01
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.661957D+02      0.980919D+01      0.109142D+02
   aniso      0.181497D+02      0.268950D+01      0.299247D+01
   xx         0.713328D+02      0.105704D+02      0.117612D+02
   yx        -0.252441D-04     -0.374078D-05     -0.416218D-05
   yy         0.729207D+02      0.108057D+02      0.120230D+02
   zx         0.190755D+01      0.282670D+00      0.314512D+00
   zy         0.152110D-03      0.225403D-04      0.250795D-04
   zz         0.543334D+02      0.805139D+01      0.895838D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.727673D+02      0.107830D+02      0.119977D+02
   aniso      0.176572D+02      0.261653D+01      0.291128D+01
   xx         0.776741D+02      0.115101D+02      0.128067D+02
   yx        -0.130128D-04     -0.192829D-05     -0.214552D-05
   yy         0.795790D+02      0.117924D+02      0.131208D+02
   zx         0.157588D+00      0.233522D-01      0.259828D-01
   zy         0.126078D-03      0.186829D-04      0.207875D-04
   zz         0.610487D+02      0.904649D+01      0.100656D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.13286900          0.81515011          0.69897180
     6         -1.13286777         -0.81515026          0.69898333
    16         -0.00000159         -0.00000351         -2.47732323
     6          3.66386852         -0.17791381          1.53375679
     6         -3.66386502          0.17791726          1.53374681
     1          0.78491925          2.78418311          1.15931387
     1         -0.78490771         -2.78417580          1.15934796
     1          5.20040593          0.90919957          0.69395049
     1          3.83712300         -0.04598415          3.59026126
     1          3.89398470         -2.14851187          0.97868050
     1         -5.20040845         -0.90895217          0.69362816
     1         -3.83728941          0.04562999          3.59021235
     1         -3.89382273          2.14862693          0.97900207

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.857373D+00      0.217922D+01      0.726911D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.857373D+00      0.217922D+01      0.726911D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.661957D+02      0.980919D+01      0.109142D+02
   aniso      0.181497D+02      0.268950D+01      0.299247D+01
   xx         0.713328D+02      0.105704D+02      0.117612D+02
   yx         0.190760D+01      0.282678D+00      0.314521D+00
   yy         0.543335D+02      0.805139D+01      0.895838D+01
   zx         0.204132D-04      0.302492D-05      0.336568D-05
   zy        -0.148075D-03     -0.219425D-04     -0.244143D-04
   zz         0.729207D+02      0.108057D+02      0.120230D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.727673D+02      0.107830D+02      0.119977D+02
   aniso      0.176572D+02      0.261653D+01      0.291128D+01
   xx         0.776741D+02      0.115101D+02      0.128067D+02
   yx         0.157641D+00      0.233600D-01      0.259915D-01
   yy         0.610487D+02      0.904649D+01      0.100656D+02
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy        -0.127590D-03     -0.189069D-04     -0.210368D-04
   zz         0.795790D+02      0.117924D+02      0.131208D+02

 ----------------------------------------------------------------------
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 A MAN THINKING OR WORKING IS ALWAYS ALONE, 
 LET HIM BE WHERE HE WILL.

                                    -- THOREAU
 Job cpu time:       0 days  1 hours 23 minutes 31.3 seconds.
 Elapsed time:       0 days  0 hours  5 minutes 14.5 seconds.
 File lengths (MBytes):  RWF=    122 Int=      0 D2E=      0 Chk=      5 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 22:17:02 2021.
